Cas no 1234616-37-5 (4,4-Difluoro-2-methylpiperidine Hydrochloride)

4,4-Difluoro-2-methylpiperidine Hydrochloride is a fluorinated piperidine derivative commonly utilized as a versatile intermediate in pharmaceutical and agrochemical synthesis. The incorporation of difluoromethyl groups enhances metabolic stability and bioavailability, making it valuable for drug development. Its hydrochloride salt form improves solubility and handling properties, facilitating precise dosing in synthetic applications. The methyl substitution at the 2-position introduces steric effects, which can influence selectivity in target interactions. This compound is particularly useful in the design of bioactive molecules, including CNS-targeting agents and enzyme inhibitors. High purity grades ensure reproducibility in research and industrial processes. Proper storage under inert conditions is recommended to maintain stability.
4,4-Difluoro-2-methylpiperidine Hydrochloride structure
1234616-37-5 structure
Product Name:4,4-Difluoro-2-methylpiperidine Hydrochloride
CAS No:1234616-37-5
MF:C6H12ClF2N
MW:171.61598777771
MDL:MFCD22415184
CID:2618493
PubChem ID:72207650
Update Time:2025-11-02

4,4-Difluoro-2-methylpiperidine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4,4-difluoro-2-methylpiperidine,hydrochloride
    • EN300-317719
    • 4,4-difluoro-2-methylpiperidine;hydrochloride
    • 4,4-Difluoro-2-Methylpipe...
    • (2S)-4,4-difluoro-2-methylpiperidine hydrochloride
    • AS-33705
    • AKOS025289579
    • SB41529
    • CS-0051122
    • 1234616-37-5
    • IBBFHZZWCIZDAA-UHFFFAOYSA-N
    • 4,4-DIFLUORO-2-METHYLPIPERIDINEHYDROCHLORIDE
    • SY259239
    • Piperidine, 4,4-difluoro-2-methyl-, hydrochloride (1:1)
    • SCHEMBL15054961
    • 1378571-68-6
    • 4,4-DIFLUORO-2-METHYLPIPERIDINE HYDROCHLORIDE
    • CS-0173183
    • MFCD17016070
    • 4,4-Difluoro-2-methylpiperidine HCl
    • PB34897
    • DFC57168
    • 839-394-1
    • 4,4-Difluoro-2-methylpiperidine Hydrochloride
    • MDL: MFCD22415184
    • Inchi: 1S/C6H11F2N.ClH/c1-5-4-6(7,8)2-3-9-5;/h5,9H,2-4H2,1H3;1H
    • InChI Key: IBBFHZZWCIZDAA-UHFFFAOYSA-N
    • SMILES: Cl.FC1(CCNC(C)C1)F

Computed Properties

  • Exact Mass: 171.0626334g/mol
  • Monoisotopic Mass: 171.0626334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 103
  • 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

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Additional information on 4,4-Difluoro-2-methylpiperidine Hydrochloride

4,4-Difluoro-2-methylpiperidine Hydrochloride (CAS No. 1234616-37-5): A Comprehensive Overview

4,4-Difluoro-2-methylpiperidine Hydrochloride (CAS No. 1234616-37-5) is a fluorinated piperidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique difluoromethyl and methyl substitutions, serves as a versatile building block in organic synthesis. Its molecular structure, C6H12F2N·HCl, offers a balance of lipophilicity and metabolic stability, making it valuable for drug discovery.

The growing interest in fluorinated compounds like 4,4-Difluoro-2-methylpiperidine Hydrochloride stems from their ability to modulate biological activity. Researchers frequently search for "fluorinated piperidine applications" or "difluoromethyl piperidine synthesis," reflecting the demand for innovative synthetic routes. This compound’s hydrochloride salt form enhances solubility, a critical factor in formulation development.

In pharmaceutical applications, 4,4-Difluoro-2-methylpiperidine Hydrochloride is explored as a precursor for central nervous system (CNS) therapeutics. Its structural motifs align with trends in "blood-brain barrier permeability" optimization, a hot topic in neurology research. The methyl group at the 2-position contributes to steric effects, influencing receptor binding—a detail often queried in "piperidine SAR studies."

The agrochemical sector leverages this compound for developing crop protection agents. Searches like "fluorinated pesticides 2024" highlight industry interest. Its difluoro moiety resists enzymatic degradation, prolonging field efficacy—a key advantage discussed in "sustainable agrochemical design" forums.

Synthetic methodologies for 4,4-Difluoro-2-methylpiperidine Hydrochloride often involve reductive amination or ring-closing strategies, with recent patents emphasizing "catalyst-free piperidine synthesis." Analytical characterization typically employs NMR and HPLC-MS, addressing common queries about "fluorine NMR chemical shifts."

Market analyses indicate rising demand for high-purity 4,4-Difluoro-2-methylpiperidine HCl, driven by preclinical drug development. Suppliers increasingly address "GMP-grade piperidine derivatives" requirements, reflecting regulatory trends. Storage recommendations emphasize anhydrous conditions to maintain stability—frequently searched as "hydrochloride salt hygroscopicity."

Environmental considerations shape modern applications of 4,4-Difluoro-2-methylpiperidine Hydrochloride. Researchers investigate "biodegradable fluorochemicals" while maintaining efficacy, aligning with "green chemistry principles." Its low ecotoxicity profile compared to older fluorinated compounds makes it preferable for sustainable development.

Future directions include exploring 4,4-Difluoro-2-methylpiperidine Hydrochloride in "proteolysis-targeting chimeras (PROTACs)"—a trending search term. Its ability to serve as a spacer moiety in bifunctional molecules opens new therapeutic avenues, particularly in "targeted protein degradation" strategies gaining traction in oncology research.

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