Cas no 745817-34-9 (3-(3-fluorophenyl)methylpiperidine hydrochloride)

3-(3-Fluorophenyl)methylpiperidine hydrochloride is a fluorinated piperidine derivative with potential applications in pharmaceutical and chemical research. The compound features a fluorophenyl group attached to a methylpiperidine core, offering unique electronic and steric properties due to the fluorine substituent. Its hydrochloride salt form enhances stability and solubility, making it suitable for synthetic and biological studies. The structural motif is of interest in medicinal chemistry, particularly for the development of CNS-active compounds or as an intermediate in drug discovery. The fluorine atom may influence binding affinity and metabolic stability, providing a versatile scaffold for further functionalization. Handling requires standard laboratory precautions for hydrochloride salts.
3-(3-fluorophenyl)methylpiperidine hydrochloride structure
745817-34-9 structure
Product Name:3-(3-fluorophenyl)methylpiperidine hydrochloride
CAS No:745817-34-9
MF:C12H17ClFN
MW:229.721485853195
CID:868160
PubChem ID:17039569
Update Time:2025-05-20

3-(3-fluorophenyl)methylpiperidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-(3-FLUORO-BENZYL)-PIPERIDINE HYDROCHLORIDE
    • 3-[(3-fluorophenyl)methyl]piperidine,hydrochloride
    • AB45956
    • AGN-PC-01A9DQ
    • CTK8E4181
    • KB-232940
    • PIPERIDINE, 3-[(3-FLUOROPHENYL)METHYL]-, HYDROCHLORIDE (1:1)
    • 3-(3-fluorophenyl)methylpiperidine hydrochloride
    • 3-[(3-fluorophenyl)methyl]piperidine hydrochloride
    • 3-(3-fluorobenzyl)piperidine hydrochloride
    • F2167-7429
    • 3-[(3-Fluorophenyl)methyl]piperidine--hydrogen chloride (1/1)
    • DTXSID40588852
    • AKOS030539700
    • 745817-34-9
    • 3-[(3-fluorophenyl)methyl]piperidine;hydrochloride
    • Inchi: 1S/C12H16FN.ClH/c13-12-5-1-3-10(8-12)7-11-4-2-6-14-9-11;/h1,3,5,8,11,14H,2,4,6-7,9H2;1H
    • InChI Key: BKZUAEOSTNZAMT-UHFFFAOYSA-N
    • SMILES: Cl.FC1=CC=CC(=C1)CC1CNCCC1

Computed Properties

  • Exact Mass: 229.10300
  • Monoisotopic Mass: 229.1033554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03000
  • LogP: 3.49860

3-(3-fluorophenyl)methylpiperidine hydrochloride Pricemore >>

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Additional information on 3-(3-fluorophenyl)methylpiperidine hydrochloride

3-(3-Fluorophenyl)methylpiperidine Hydrochloride: A Comprehensive Overview

The compound with CAS No. 745817-34-9, commonly referred to as 3-(3-fluorophenyl)methylpiperidine hydrochloride, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a derivative of piperidine, a six-membered cyclic amine, with a fluorophenyl group attached to the third carbon atom. The presence of the fluorine atom introduces unique electronic and steric properties, making this compound a valuable tool in drug discovery and chemical synthesis.

Piperidine derivatives have long been recognized for their versatility in organic chemistry. The piperidine ring itself is known for its ability to form hydrogen bonds, which is crucial in many biochemical interactions. The substitution of the piperidine ring with a fluorophenyl group further enhances its potential applications. Fluorine, being highly electronegative, can significantly alter the electronic environment of the molecule, influencing its reactivity and bioavailability.

Recent studies have highlighted the importance of fluorinated aromatic compounds in medicinal chemistry. The fluorine atom's ability to modulate physicochemical properties such as lipophilicity and metabolic stability makes it an attractive substituent in drug design. For instance, 3-(3-fluorophenyl)methylpiperidine hydrochloride has been explored as a potential lead compound in the development of novel therapeutics targeting various diseases, including central nervous system disorders and cardiovascular conditions.

The synthesis of 3-(3-fluorophenyl)methylpiperidine hydrochloride typically involves multi-step processes that combine principles from both organic and inorganic chemistry. One common approach involves the nucleophilic substitution of a suitable electrophilic fluorinated arene with piperidine or its derivatives. This reaction is often facilitated by the use of transition metal catalysts or phase-transfer catalysts to enhance reaction efficiency and selectivity.

In terms of applications, this compound has shown promise in several areas. For example, it has been investigated as a potential inhibitor of certain enzymes involved in neurological pathways. Its ability to cross the blood-brain barrier makes it particularly interesting for research into neurodegenerative diseases such as Alzheimer's and Parkinson's. Additionally, its role as a building block in more complex molecular architectures has been explored in combinatorial chemistry efforts.

From an environmental perspective, the synthesis and handling of 3-(3-fluorophenyl)methylpiperidine hydrochloride must adhere to strict safety protocols. While it is not classified as a hazardous chemical under normal conditions, proper disposal and waste management practices are essential to minimize its impact on ecosystems.

In conclusion, 3-(3-fluorophenyl)methylpiperidine hydrochloride (CAS No. 745817-34-9) stands out as a versatile and intriguing molecule with diverse applications across multiple disciplines. Its unique chemical properties and potential therapeutic applications continue to drive research efforts worldwide. As our understanding of this compound deepens, it is likely to play an even more significant role in advancing both chemical science and medical innovation.

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