Cas no 1378571-68-6 (4,4-Difluoro-2-methylpiperidine hydrochloride)

4,4-Difluoro-2-methylpiperidine hydrochloride is a fluorinated piperidine derivative with a molecular formula of C6H12ClF2N. This compound features a difluorinated carbon at the 4-position and a methyl substituent at the 2-position, enhancing its steric and electronic properties. The hydrochloride salt form improves stability and solubility, making it suitable for synthetic applications in medicinal chemistry and agrochemical research. Its structural motifs are valuable for modulating pharmacokinetic properties, such as metabolic stability and lipophilicity, in drug discovery. The compound serves as a versatile intermediate for the development of bioactive molecules, particularly in the design of fluorine-containing analogs. High purity and well-defined characterization ensure reliability in research applications.
4,4-Difluoro-2-methylpiperidine hydrochloride structure
1378571-68-6 structure
Product Name:4,4-Difluoro-2-methylpiperidine hydrochloride
CAS No:1378571-68-6
MF:C6H12ClF2N
MW:171.61598777771
MDL:MFCD17016070
CID:2094009
PubChem ID:72207650
Update Time:2025-05-26

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
    • CS-0173183
    • MFCD17016070
    • 4,4-Difluoro-2-methylpiperidine HCl
    • PB34897
    • DFC57168
    • 839-394-1
    • MDL： MFCD17016070
    • 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: 1
  • Hydrogen Bond Acceptor Count: 1
  • 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

4,4-Difluoro-2-methylpiperidine hydrochloride Pricemore >>

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abcr
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4,4-Difluoro-2-methylpiperidine hydrochloride Related Literature

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

Recent Advances in the Application of 4,4-Difluoro-2-methylpiperidine Hydrochloride (CAS: 1378571-68-6) in Chemical Biology and Pharmaceutical Research

4,4-Difluoro-2-methylpiperidine hydrochloride (CAS: 1378571-68-6) is a fluorinated piperidine derivative that has recently gained significant attention in chemical biology and pharmaceutical research. This compound serves as a versatile building block in medicinal chemistry, particularly in the synthesis of bioactive molecules targeting central nervous system (CNS) disorders and other therapeutic areas. The incorporation of fluorine atoms and the piperidine scaffold enhances the pharmacokinetic properties of drug candidates, making this compound particularly valuable in drug discovery programs.

Recent studies have demonstrated the utility of 4,4-Difluoro-2-methylpiperidine hydrochloride in the development of novel sigma-1 receptor ligands. A 2023 publication in the Journal of Medicinal Chemistry reported its successful application in creating potent and selective sigma-1 receptor modulators with potential applications in neuropathic pain management. The fluorine substitution at the 4-position was found to significantly improve metabolic stability while maintaining high receptor binding affinity, addressing a common challenge in CNS drug development.

In synthetic chemistry, researchers have developed innovative methods for incorporating 4,4-Difluoro-2-methylpiperidine hydrochloride into complex molecular architectures. A recent breakthrough published in Organic Letters (2024) described a novel asymmetric synthesis approach that allows for the efficient construction of chiral derivatives while preserving the valuable fluorine substituents. This advancement opens new possibilities for creating enantiomerically pure pharmaceutical compounds with enhanced biological activity.

The compound has also shown promise in positron emission tomography (PET) tracer development. A 2024 study in ACS Chemical Neuroscience utilized 4,4-Difluoro-2-methylpiperidine hydrochloride as a precursor for fluorine-18 labeled radiotracers targeting dopamine receptors. The resulting tracers demonstrated excellent brain penetration and specific binding, suggesting potential applications in neurodegenerative disease diagnosis and monitoring.

From a safety and pharmacokinetic perspective, recent preclinical evaluations have provided valuable data on 4,4-Difluoro-2-methylpiperidine hydrochloride derivatives. Studies conducted in 2023-2024 indicate that these compounds generally exhibit favorable blood-brain barrier penetration with acceptable safety profiles in animal models. The metabolic stability conferred by the difluoro substitution appears to reduce cytochrome P450-mediated drug interactions, a significant advantage in combination therapies.

Looking forward, the unique properties of 4,4-Difluoro-2-methylpiperidine hydrochloride continue to inspire innovative research directions. Current investigations are exploring its application in the development of next-generation antiviral agents and as a scaffold for targeted protein degraders (PROTACs). The compound's versatility and demonstrated biological activity ensure its ongoing importance in pharmaceutical research and development.

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