Cas no 1184977-99-8 (3-(3-Methylphenyl)piperidine hydrochloride)

3-(3-Methylphenyl)piperidine hydrochloride is a synthetic organic compound featuring a piperidine core substituted with a 3-methylphenyl group, presented as its hydrochloride salt for enhanced stability and solubility. This intermediate is valuable in pharmaceutical and agrochemical research, particularly in the development of bioactive molecules targeting central nervous system (CNS) receptors or enzyme inhibition. The hydrochloride form ensures consistent handling and improved reactivity in synthetic applications. Its structural versatility allows for further functionalization, making it useful in medicinal chemistry for lead optimization. The compound is typically characterized by high purity (>95%) and rigorous analytical validation (HPLC, NMR) to meet research and industrial standards.
3-(3-Methylphenyl)piperidine hydrochloride structure
1184977-99-8 structure
Product Name:3-(3-Methylphenyl)piperidine hydrochloride
CAS No:1184977-99-8
MF:C12H18ClN
MW:211.731022357941
MDL:MFCD02178938
CID:1068552
PubChem ID:45073818
Update Time:2025-05-23

3-(3-Methylphenyl)piperidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Methylphenyl)piperidine hydrochloride
    • 1184977-99-8
    • BS-36995
    • 3-(3-Methylphenyl)piperidine hydrochloride, AldrichCPR
    • SCHEMBL11894110
    • 3-(3-Methylphenyl)piperidine HCl
    • MFCD02178938
    • AKOS015844654
    • 3-(3-METHYLPHENYL) PIPERIDINE HYDROCHLORIDE
    • 3-(m-Tolyl)piperidine hydrochloride
    • AT37777
    • DB-010756
    • 3-(3-methylphenyl)piperidine;hydrochloride
    • DTXSID60662845
    • XKIWGWVSBLGDPM-UHFFFAOYSA-N
    • CS-0365755
    • 3-(m-Tolyl)piperidinehydrochloride
    • 3-(3-Methylphenyl)piperidine--hydrogen chloride (1/1)
    • MDL: MFCD02178938
    • Inchi: 1S/C12H17N.ClH/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;/h2,4-5,8,12-13H,3,6-7,9H2,1H3;1H
    • InChI Key: XKIWGWVSBLGDPM-UHFFFAOYSA-N
    • SMILES: Cl.N1CCCC(C2C=CC=C(C)C=2)C1

Computed Properties

  • Exact Mass: 211.1127773g/mol
  • Monoisotopic Mass: 211.1127773g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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

3-(3-Methylphenyl)piperidine hydrochloride Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

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Additional information on 3-(3-Methylphenyl)piperidine hydrochloride

Comprehensive Overview of 3-(3-Methylphenyl)piperidine hydrochloride (CAS No. 1184977-99-8)

3-(3-Methylphenyl)piperidine hydrochloride (CAS No. 1184977-99-8) is a specialized organic compound widely utilized in pharmaceutical research and fine chemical synthesis. This compound belongs to the piperidine derivative family, which is known for its versatile applications in drug discovery and development. The presence of a 3-methylphenyl group enhances its lipophilicity, making it a valuable intermediate for designing bioactive molecules targeting neurological and metabolic disorders.

In recent years, the demand for piperidine-based compounds has surged due to their role in developing novel therapeutics. Researchers frequently search for terms like "piperidine derivatives in drug design" or "3-methylphenyl piperidine applications", reflecting the growing interest in this chemical space. The hydrochloride salt form of this compound improves its solubility, facilitating its use in aqueous-based reactions and formulations.

The synthesis of 3-(3-Methylphenyl)piperidine hydrochloride involves multi-step organic reactions, including reductive amination and subsequent salt formation. Its molecular structure has been characterized using advanced techniques such as NMR spectroscopy and mass spectrometry, ensuring high purity (>98%) for research purposes. This level of purity is critical for reproducibility in pharmacological studies, a topic often queried in search engines as "high-purity piperidine compounds for research".

From a therapeutic perspective, this compound's structural features align with current trends in small molecule drug discovery. Its potential interactions with G-protein-coupled receptors (GPCRs) make it particularly interesting for researchers investigating neurotransmitter modulation—a hot topic in neuroscience circles. Online searches frequently include phrases like "GPCR-targeting piperidine compounds", indicating the compound's relevance in modern medicinal chemistry.

Stability studies of 3-(3-Methylphenyl)piperidine hydrochloride show excellent performance under standard laboratory conditions, with minimal degradation observed at room temperature when stored properly. This characteristic addresses common researcher concerns captured in search queries such as "stable piperidine derivatives storage". The compound's compatibility with various organic solvents expands its utility in diverse synthetic protocols.

In the context of green chemistry initiatives, recent modifications to the synthesis route of this compound have reduced environmental impact—a response to frequent searches about "sustainable synthesis of pharmaceutical intermediates". These improvements include catalyst optimization and waste minimization strategies, making the production process more aligned with contemporary green chemistry principles.

The analytical profile of 3-(3-Methylphenyl)piperidine hydrochloride has been thoroughly documented, with detailed HPLC and GC-MS data available to support quality control. This transparency meets the increasing demand for "fully characterized research chemicals"—a frequent requirement in academic and industrial research settings. The availability of comprehensive spectral data facilitates its adoption in various research programs.

Looking forward, the applications of 3-(3-Methylphenyl)piperidine hydrochloride may expand into new areas of pharmaceutical development, particularly in the design of next-generation therapeutics. Its structural flexibility allows for further derivatization, addressing the persistent search for "versatile building blocks in medicinal chemistry". As research continues, this compound is poised to maintain its importance in the chemical research landscape.

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