Cas no 61869-08-7 ((3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine)

(3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine structure
61869-08-7 structure
Product Name:(3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine
CAS No:61869-08-7
MF:C19H20FNO3
MW:329.3654088974
CID:57778
PubChem ID:43815
Update Time:2025-11-02

(3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • PAXIL
    • AROPAX
    • AROPAX 20
    • BRL 29060
    • FG 7051
    • PAROXETINE
    • (-)-TRANS-4R-(4'-FLUOROPHENYL)-3S-[(3',4'-METHYLENEDIOXY-PHENOXY) METHYL]PIPERIDINE
    • 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-,(3s,4r)-piperidin
    • 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-piperidin(3s-trans)
    • PAROXETIENE BASE
    • PAROXETIN HCL
    • PARORETINE HCL
    • ParoxetineHclBase
    • rac trans-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride
    • (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine
    • Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)- (9CI)
    • Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)-
    • (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
    • (-)-trans-4R-(4'-Fluorophenyl)-3S-((3',4'-methylenedioxyphenoxy)methyl)piperidine
    • (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine
    • Paroxetine hydrochloride hemihydrate
    • Paroxetine hydrochloride hemihydrate1000μg
    • Paxil CR
    • Seroxat
    • Paxetil
    • Paroxetinum
    • Paroxetina
    • Frosinor
    • Motivan
    • Casbol
    • Paroxetinum [INN-Latin]
    • PaxPar
    • Paroxetina [INN-Spanish]
    • Pexeva
    • Paroxetine [USAN:INN:BAN]
    • [3H]Paroxetine
    • C19H20FNO3
    • Paroxetine Acetate
    • (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piper
    • Paroxetine hydrochloride
    • Paroxetine Hcl
    • Paroxat
    • paroxetine (hydrochloride)
    • (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride
    • Paroxetine hydrochloride [USP]
    • BRL 29060 hydrochloride
    • BRL 29060A
    • SDB 7175
    • C19H21ClFNO3
    • 3I3T11UD2S
    • S3005
    • Paxil (TN)
    • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, hydrochloride, (3S
    • (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine
    • (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-(methylenedioxy)phenoxy)methyl)piperidine
    • Paroxetine, trans-(+/-)-
    • Paroxetine.HCl
    • Arketis
    • (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-methylenedioxy)phenoxy)methyl)piperidine
    • EN300-150199
    • piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-
    • BSPBio_000861
    • NCGC00025355-06
    • Tox21_113123_1
    • NCGC00025355-07
    • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)-
    • BRD-K37991163-050-05-1
    • 130855-15-1
    • (3S,4R)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE
    • BDBM50331515
    • PAROXETINE [MART.]
    • Rel-(3R,4S)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine
    • AC-8185
    • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, trans-
    • Paroxetinum (INN-Latin)
    • NS00000037
    • (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
    • Arotin
    • NCGC00025355-12
    • 110429-35-1
    • Q408471
    • FG-7051
    • NCGC00025355-03
    • CHEMBL1708
    • (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine
    • (+/-)-Paroxetine
    • DB00715
    • Spectrum_001752
    • CHEBI:7936
    • AB00514724
    • Paroxetina (INN-Spanish)
    • NCGC00025355-08
    • CHEMBL490
    • Paroxetine (TN)
    • C07415
    • Parogen
    • SBI-0051908.P002
    • Oxetine
    • HMS2090H05
    • AB00053704_22
    • PAROXETINE [MI]
    • NNC-20-7051
    • Paroxetine, (+/-)-
    • BDBM22416
    • PAROXETINE [USAN]
    • D02362
    • NCGC00182968-01
    • AHOUBRCZNHFOSL-YOEHRIQHSA-N
    • BRL-29060
    • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3R,4S)-rel-
    • SDCCGSBI-0051908.P003
    • AB00053704_23
    • PAROXETINE HCL HEMIHYDRATE
    • Paroxetine (USP/INN)
    • SpecPlus_000788
    • GTPL4790
    • 61869-08-7
    • PAROXETINE (MART.)
    • 32Q7TW8BX7
    • (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
    • 41VRH5220H
    • BRD-K37991163-003-02-7
    • UNII-32Q7TW8BX7
    • Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)-
    • KBio2_002232
    • Tox21_113123
    • UNII-41VRH5220H
    • Paroxetinum (Latin)
    • DTXSID3023425
    • AKOS015888636
    • CAS-61869-08-7
    • BIDD:GT0673
    • Besitram
    • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, trans-(+/-)-
    • Xetanor
    • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S,4R)-
    • KBio1_001828
    • KBio2_004800
    • (-)-trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]-piperidine
    • PAROXETINE [WHO-DD]
    • NCGC00025355-09
    • PAROXETINE [VANDF]
    • Daparox
    • DTXCID703425
    • Spectrum5_001665
    • SCHEMBL27799
    • NCGC00025355-05
    • CS-0083299
    • NCGC00025355-22
    • KBioSS_002232
    • DivK1c_006884
    • NCGC00025355-04
    • NCGC00025355-02
    • paroxetine hydrochloride (anhydrous or hemihydrate)
    • (-)3s,4r-paroxetine
    • (3S,4R)-3-[(1,3-dioxaindan-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
    • HY-122272
    • PAROXETINE [INN]
    • HSDB 7175
    • 8PR
    • 3h-paroxetine
    • BPBio1_000949
    • N06AB05
    • AB00053704-21
    • (-)-Paroxetine
    • KBio2_007368
    • (3S-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine
    • (-)-TRANS-4-(P-FLUOROPHENYL)-3-((3,4-(METHYLENEDIOXY)PHENOXY)METHYL)PIPERIDINE
    • Prestwick3_000851
    • BRD-K37991163-003-13-4
    • BRD-K37991163-050-18-4
    • NCGC00025355-13
    • BRD-K37991163-003-14-2
    • NCGC00025355-23
    • Inchi： 1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
    • InChI Key： AHOUBRCZNHFOSL-YOEHRIQHSA-N
    • SMILES： FC1C=CC(=CC=1)[C@@H]1CCNC[C@H]1COC1=CC=C2C(=C1)OCO2

Computed Properties

  • Exact Mass: 329.14300
  • Monoisotopic Mass: 329.142722
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 402
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 39.7

Experimental Properties

  • Color/Form: White to off white powder
  • Density: 1.1844 (estimate)
  • Melting Point: 114-116°C
  • Boiling Point: 451.674 °C at 760 mmHg
  • Flash Point: 226.964 °C
  • Refractive Index: 1.561
  • PSA: 39.72000
  • LogP: 3.65530

(3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine Security Information

  • Hazardous Material transportation number：3249
  • Hazard Level：6.1(b)
  • Packing Group：III
  • HazardClass：6.1(b)
  • PackingGroup：III

(3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine Customs Data

  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine

Comprehensive Overview of (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine (CAS No. 61869-08-7)

(3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine (CAS No. 61869-08-7) is a specialized organic compound with significant potential in pharmaceutical and chemical research. This compound belongs to the piperidine class, featuring a unique structural framework that combines a 1,3-dioxaindan moiety and a 4-fluorophenyl group. Its stereochemistry, denoted by the (3S,4R) configuration, plays a crucial role in its biological activity and interaction with target molecules.

The compound's molecular formula and weight, along with its precise stereochemistry, make it a subject of interest in drug discovery and development. Researchers are particularly intrigued by its potential as a chiral building block or intermediate in synthesizing more complex molecules. The presence of the fluorophenyl group enhances its lipophilicity, which can influence its pharmacokinetic properties, making it a candidate for central nervous system (CNS) targeting agents.

In recent years, the demand for fluorinated compounds like (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine has surged due to their applications in medicinal chemistry. Fluorination is a common strategy to improve metabolic stability and bioavailability of drug candidates. This compound's 1,3-dioxaindan moiety also contributes to its stability and potential as a scaffold for designing novel therapeutics.

From a synthetic chemistry perspective, the compound's structure offers opportunities for further functionalization. The piperidine ring can undergo various modifications, enabling the creation of derivatives with tailored properties. This flexibility is particularly valuable in fragment-based drug design, where small molecules like this serve as starting points for developing potent inhibitors or modulators of biological targets.

The pharmaceutical industry's growing focus on precision medicine and targeted therapies has increased interest in compounds with well-defined stereochemistry like (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine. Its potential applications span neurological disorders, pain management, and psychiatric conditions, where modulation of specific receptor systems is desired. Researchers are investigating its interactions with various neurotransmitter receptors, given the structural similarity to known pharmacophores in these domains.

In the context of green chemistry trends, the synthesis and application of this compound are being evaluated for environmental sustainability. The chemical industry is increasingly prioritizing efficient synthetic routes that minimize waste and energy consumption while maintaining high stereochemical purity. This aligns with global initiatives for sustainable pharmaceutical manufacturing and the development of eco-friendly synthetic methodologies.

Quality control and analytical characterization of (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine are critical aspects of its research and development. Advanced techniques such as chiral HPLC, NMR spectroscopy, and mass spectrometry are employed to verify its identity and purity. These analytical methods ensure the compound meets the stringent requirements for pharmaceutical intermediates and research chemicals.

The commercial availability of (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine (CAS No. 61869-08-7) through specialized chemical suppliers has facilitated its adoption in various research programs. Its pricing and scalability are important considerations for academic and industrial researchers alike. The compound's stability under standard storage conditions and compatibility with common organic solvents further enhance its utility in laboratory settings.

Future research directions for this compound may explore its potential as a key intermediate in multi-step syntheses or investigate its biological activity profile more comprehensively. The growing understanding of structure-activity relationships in medicinal chemistry could reveal new applications for this structurally unique molecule. As the field of computer-aided drug design advances, computational studies may provide additional insights into its molecular interactions and potential therapeutic relevance.

In conclusion, (3S,4R)-3-(1,3-dioxaindan-5-yloxy)methyl-4-(4-fluorophenyl)piperidine represents an intriguing chemical entity with multiple avenues for scientific exploration. Its combination of stereochemical complexity, fluorinated aromatic system, and heterocyclic components makes it a valuable tool for pharmaceutical research and development. As the chemical and life sciences continue to evolve, compounds like this will likely play increasingly important roles in addressing unmet medical needs and advancing our understanding of molecular interactions.

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