Cas no 104774-88-1 (4-(3-Fluorophenyl)piperidine)

4-(3-Fluorophenyl)piperidine is a fluorinated piperidine derivative commonly utilized as a key intermediate in pharmaceutical and agrochemical synthesis. The incorporation of a fluorine atom at the meta position of the phenyl ring enhances its electronic properties, making it valuable for modifying pharmacokinetic profiles in drug development. This compound exhibits improved metabolic stability and bioavailability compared to non-fluorinated analogs, which is advantageous in medicinal chemistry applications. Its rigid piperidine scaffold also facilitates selective binding interactions in receptor-targeted compounds. The structural versatility of 4-(3-Fluorophenyl)piperidine allows for further functionalization, enabling its use in the synthesis of diverse bioactive molecules.
4-(3-Fluorophenyl)piperidine structure
4-(3-Fluorophenyl)piperidine structure
Product Name:4-(3-Fluorophenyl)piperidine
CAS No:104774-88-1
MF:C11H14FN
MW:179.233966350555
MDL:MFCD05189920
CID:135118
PubChem ID:13843003
Update Time:2025-05-21

4-(3-Fluorophenyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • 4-(3-Fluorophenyl)piperidine
    • 4-(3-Fluoro-phenyl)-piperidine
    • Piperidine,4-(3-fluorophenyl)-
    • Piperidine,4-(3-fluorophenyl)
    • Q-102119
    • EN300-146316
    • 104774-88-1
    • BCYGJJOHAFKLLF-UHFFFAOYSA-N
    • AKOS000209085
    • FT-0630288
    • CS-0171125
    • BB 0253452
    • AS-37432
    • DTXSID00551082
    • 4-(3-fluoro-phenyl)-piperidine, AldrichCPR
    • F8880-3544
    • MFCD05189920
    • SCHEMBL378006
    • AB21594
    • Piperidine, 4-(3-fluorophenyl)-
    • DB-031657
    • 4-(3-fluorophenyl)-piperidine
    • DTXCID60501866
    • 676-129-7
    • MDL: MFCD05189920
    • Inchi: 1S/C11H14FN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2
    • InChI Key: BCYGJJOHAFKLLF-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1CCNCC1

Computed Properties

  • Exact Mass: 179.11100
  • Monoisotopic Mass: 179.111027613g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 154
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 1.048
  • Boiling Point: 256 oC
  • Flash Point: 108 oC
  • PSA: 12.03000
  • LogP: 2.62150

4-(3-Fluorophenyl)piperidine Security Information

  • Signal Word:Danger
  • Hazard Statement: H412
  • Warning Statement: P273
  • Hazard Category Code: 52
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:2-8 °C

4-(3-Fluorophenyl)piperidine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-(3-Fluorophenyl)piperidine Production Method

Additional information on 4-(3-Fluorophenyl)piperidine

4-(3-Fluorophenyl)piperidine (CAS No. 104774-88-1): A Comprehensive Overview

4-(3-Fluorophenyl)piperidine, also known by its CAS registry number 104774-88-1, is a heterocyclic organic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the piperidine family, which is a six-membered ring containing one nitrogen atom. The presence of a fluorine atom at the 3-position of the phenyl ring introduces unique electronic and steric properties, making it a versatile building block for various applications.

The synthesis of 4-(3-fluorophenyl)piperidine has been extensively studied, with researchers exploring both traditional and modern methodologies to optimize its production. Recent advancements in catalytic asymmetric synthesis have enabled the preparation of enantiomerically enriched versions of this compound, which are highly valuable in drug discovery and chiral catalysis. For instance, a study published in *Angewandte Chemie* demonstrated the use of palladium-catalyzed cross-coupling reactions to synthesize this compound with high enantioselectivity.

One of the most notable applications of 4-(3-fluorophenyl)piperidine is in the field of medicinal chemistry. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including antidepressants, antipsychotics, and analgesics. Its ability to modulate serotonin and dopamine receptors makes it particularly relevant in the development of CNS (central nervous system) drugs. A recent study in *Journal of Medicinal Chemistry* highlighted its potential as a lead compound for treating neuropathic pain due to its unique binding profile at voltage-gated sodium channels.

In addition to its pharmacological applications, 4-(3-fluorophenyl)piperidine has found utility in materials science. Researchers have investigated its use as a precursor for constructing advanced materials such as metal-organic frameworks (MOFs) and coordination polymers. These materials exhibit exceptional porosity and stability, making them promising candidates for gas storage and separation applications. A paper in *Nature Communications* reported the successful incorporation of this compound into MOFs with unprecedented surface areas.

The electronic properties of 4-(3-fluorophenyl)piperidine have also been leveraged in organic electronics. Its ability to act as a n-type semiconductor has been exploited in the development of thin-film transistors (TFTs) and organic photovoltaics (OPVs). Recent studies published in *Advanced Materials* demonstrated that films prepared from this compound exhibit excellent charge transport properties, paving the way for its use in next-generation electronic devices.

From an environmental standpoint, 4-(3-fluorophenyl)piperidine has been studied for its biodegradability and ecotoxicological profile. Research conducted by environmental chemists has shown that this compound undergoes rapid microbial degradation under aerobic conditions, reducing its potential ecological impact. These findings are particularly relevant for industries involved in chemical manufacturing and waste management.

In conclusion, 4-(3-fluorophenyl)piperidine (CAS No. 104774-88-1) is a multifaceted compound with applications spanning multiple disciplines. Its unique chemical properties, coupled with recent advancements in synthesis and application techniques, position it as a valuable tool for researchers across various fields. As ongoing studies continue to uncover new potentials for this compound, its role in scientific innovation is expected to grow significantly.

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