Cas no 3801-89-6 (1-(3-Fluorophenyl)-piperazine)

1-(3-Fluorophenyl)-piperazine is a fluorinated phenylpiperazine derivative with applications in pharmaceutical and chemical research. Its structure features a piperazine ring substituted with a 3-fluorophenyl group, enhancing its reactivity and potential as an intermediate in medicinal chemistry. The fluorine atom introduces electron-withdrawing properties, influencing binding affinity and metabolic stability in drug design. This compound is valued for its versatility in synthesizing bioactive molecules, particularly in CNS-targeting agents. High-purity grades ensure reproducibility in research settings. Proper handling is required due to its potential pharmacological activity. Storage under inert conditions is recommended to maintain stability.
1-(3-Fluorophenyl)-piperazine structure
1-(3-Fluorophenyl)-piperazine structure
Product Name:1-(3-Fluorophenyl)-piperazine
CAS No:3801-89-6
MF:C10H13FN2
MW:180.222025632858
MDL:MFCD03412122
CID:44503
PubChem ID:77418
Update Time:2025-07-22

1-(3-Fluorophenyl)-piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Fluorophenyl)piperazine
    • 1-(3'-fluorophenyl)piperazine
    • 1-(m-fluorophenyl)piperazine
    • 4-(3-fluorophenyl)piperazine
    • N-2--fluoro-benzyl-piperazine
    • UNII-B46UBR8BEE
    • B46UBR8BEE
    • AKOS000101159
    • A6453
    • PD057597
    • CHEMBL269784
    • Piperazine, 1-(3-fluorophenyl)-
    • C10H13FN2
    • FT-0647975
    • 3-fluorophenyl piperazine
    • CS-0106248
    • BDBM50017455
    • KIFCSMQTGWVMOD-UHFFFAOYSA-N
    • N-(3-Fluorophenyl)piperazine
    • FS-1513
    • 3801-89-6
    • AS-10296
    • MFCD03412122
    • Piperazine,1-(3-fluorophenyl)-
    • EINECS 223-271-9
    • PIPERAZINE, 1-(M-FLUOROPHENYL)-
    • 2-Methyl-N-(3-trifluoromethylphenyl)propanamide
    • DTXSID40191426
    • 1-(3-fluorophenyl)-piperazine
    • NS00047093
    • 1-(3-Fluoro-phenyl)-piperazine
    • BL007993
    • 1-(3-fluorophenyl)piperazine, AldrichCPR
    • SCHEMBL315894
    • DB-024580
    • 1-(3-Fluorophenyl)-piperazine
    • MDL: MFCD03412122
    • Inchi: 1S/C10H13FN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
    • InChI Key: KIFCSMQTGWVMOD-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)N1CCNCC1

Computed Properties

  • Exact Mass: 180.10600
  • Monoisotopic Mass: 180.10627659g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 157
  • 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: 1.2
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • Boiling Point: 88-91°C 0,2mm
  • PSA: 15.27000
  • LogP: 1.62910

1-(3-Fluorophenyl)-piperazine Security Information

1-(3-Fluorophenyl)-piperazine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(3-Fluorophenyl)-piperazine Pricemore >>

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abcr
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Additional information on 1-(3-Fluorophenyl)-piperazine

1-(3-Fluorophenyl)-Piperazine: A Comprehensive Overview

The compound 1-(3-Fluorophenyl)-Piperazine, also known by its CAS number 3801-89-6, is a significant molecule in the field of organic chemistry and pharmacology. This compound belongs to the class of piperazines, which are six-membered rings containing two nitrogen atoms. The presence of a fluorine atom at the third position of the phenyl ring introduces unique electronic and steric properties, making this compound highly versatile in various applications.

Piperazines are widely studied due to their structural versatility and potential for bioactivity. The substitution pattern in 1-(3-Fluorophenyl)-Piperazine plays a crucial role in determining its chemical reactivity and biological activity. Recent studies have highlighted the importance of fluorine substitution in enhancing the pharmacokinetic properties of piperazine derivatives. For instance, the fluorine atom at the third position of the phenyl ring can influence the compound's solubility, permeability, and metabolic stability, which are critical factors in drug design.

The synthesis of 1-(3-Fluorophenyl)-Piperazine involves a multi-step process that typically begins with the preparation of 3-fluorophenol or its derivatives. This is followed by nucleophilic substitution or coupling reactions to introduce the piperazine moiety. Researchers have explored various methodologies to optimize the yield and purity of this compound, including microwave-assisted synthesis and catalytic systems. These advancements have significantly improved the efficiency of producing 1-(3-Fluorophenyl)-Piperazine for both academic and industrial purposes.

In terms of biological activity, 1-(3-Fluorophenyl)-Piperazine has shown promising results in several pharmacological studies. It exhibits moderate to high affinity for various receptors, including dopamine and serotonin receptors, making it a potential candidate for treating central nervous system disorders such as depression, anxiety, and schizophrenia. Recent findings from in vitro assays suggest that this compound may also possess anti-inflammatory properties, which could be exploited in developing treatments for chronic inflammatory diseases.

The application of 1-(3-Fluorophenyl)-Piperazine extends beyond pharmacology into materials science. Its ability to form stable complexes with metal ions has led to its use in designing coordination polymers and metal-organic frameworks (MOFs). These materials have potential applications in gas storage, catalysis, and sensing technologies. Furthermore, the compound's unique electronic properties make it a candidate for organic electronics, particularly in the development of semiconducting materials.

Safety assessment is another critical aspect when dealing with compounds like 1-(3-Fluorophenyl)-Piperazine. While it is not classified as a hazardous or controlled substance under current regulations, proper handling procedures should be followed to ensure occupational safety. Recent toxicological studies have focused on evaluating its acute and chronic toxicity profiles, as well as its potential for bioaccumulation. These studies are essential for determining safe exposure limits and guiding regulatory decisions.

In conclusion, 1-(3-Fluorophenyl)-Piperazine is a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and biological evaluation, positions it as a valuable tool in drug discovery and materials science. As research continues to uncover new properties and applications, this compound is likely to play an increasingly important role in both academic and industrial settings.

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