Cas no 65367-98-8 (3-(4-Methylphenyl)piperidine Hydrochloride)

3-(4-Methylphenyl)piperidine Hydrochloride is a synthetic organic compound featuring a piperidine core substituted with a 4-methylphenyl group, delivered as its hydrochloride salt for enhanced stability and solubility. This intermediate is valuable in pharmaceutical research, particularly in the development of bioactive molecules targeting central nervous system (CNS) disorders. Its structural motif is frequently employed in the synthesis of ligands for receptors such as dopamine or serotonin transporters. The hydrochloride form ensures consistent handling and improved reactivity in downstream applications. The compound’s purity and well-defined chemical properties make it a reliable choice for medicinal chemistry and preclinical studies.
3-(4-Methylphenyl)piperidine Hydrochloride structure
65367-98-8 structure
Product Name:3-(4-Methylphenyl)piperidine Hydrochloride
CAS No:65367-98-8
MF:C12H18ClN
MW:211.731022357941
CID:399547
PubChem ID:45073817
Update Time:2025-05-21

3-(4-Methylphenyl)piperidine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Piperidine, 3-(4-methylphenyl)-, hydrochloride
    • 3-(4-METHYLPHENYL)PIPERIDINE HYDROCHLORIDE
    • AG-A-52719
    • CTK1J7072
    • MolPort-003-985-159
    • SureCN566689
    • 3-(p-Tolyl)piperidine hydrochloride
    • JMZLKWZNRWZUSX-UHFFFAOYSA-N
    • AKOS015844502
    • 3-(p-Tolyl)piperidinehydrochloride
    • FT-0705653
    • EN300-6479548
    • 65367-98-8
    • SCHEMBL566689
    • 3-(4-Methylphenyl)piperidine--hydrogen chloride (1/1)
    • MFCD02178937
    • DTXSID00662844
    • 3-(4-methylphenyl)piperidine;hydrochloride
    • 3-(4-METHYLPHENYL) PIPERIDINE HYDROCHLORIDE
    • G75849
    • DB-012122
    • 3-(4-Methylphenyl)piperidine Hydrochloride
    • MDL: MFCD02178937
    • Inchi: 1S/C12H17N.ClH/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;/h4-7,12-13H,2-3,8-9H2,1H3;1H
    • InChI Key: JMZLKWZNRWZUSX-UHFFFAOYSA-N
    • SMILES: Cl.N1CCCC(C2C=CC(C)=CC=2)C1

Computed Properties

  • Exact Mass: 211.11294
  • 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: 147
  • 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: 12.03

3-(4-Methylphenyl)piperidine Hydrochloride Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-(4-Methylphenyl)piperidine Hydrochloride Pricemore >>

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3-(4-Methylphenyl)piperidine Hydrochloride Related Literature

Additional information on 3-(4-Methylphenyl)piperidine Hydrochloride

Introduction to 3-(4-Methylphenyl)piperidine Hydrochloride (CAS No. 65367-98-8)

3-(4-Methylphenyl)piperidine Hydrochloride, identified by its CAS number 65367-98-8, is a significant compound in the field of pharmaceutical chemistry. This compound belongs to the piperidine class of heterocyclic amines, characterized by a six-membered ring containing one nitrogen atom. The presence of a methylphenyl group at the 4-position of the piperidine ring contributes to its unique chemical and pharmacological properties, making it a subject of considerable interest in drug discovery and development.

The molecular structure of 3-(4-Methylphenyl)piperidine Hydrochloride consists of a piperidine core substituted with a 4-methylphenyl group, which is a derivative of toluene. The hydrochloride salt form enhances the solubility and stability of the compound, making it more suitable for various pharmaceutical applications. This compound has garnered attention due to its potential role as an intermediate in synthesizing more complex pharmaceutical agents.

In recent years, research on 3-(4-Methylphenyl)piperidine Hydrochloride has focused on its pharmacological profile, particularly its interactions with biological targets. Studies have suggested that this compound may exhibit properties relevant to central nervous system (CNS) modulation, including potential effects on neurotransmitter systems. The methylphenyl group is known to influence the compound's binding affinity and selectivity, which are critical factors in drug design.

One of the most intriguing aspects of 3-(4-Methylphenyl)piperidine Hydrochloride is its potential as a scaffold for developing novel therapeutic agents. Researchers have explored its utility in creating derivatives with enhanced pharmacological activity and improved pharmacokinetic profiles. For instance, modifications to the piperidine ring or the phenyl substituent can lead to compounds with altered binding properties, which may be beneficial in treating various neurological disorders.

Advances in computational chemistry and molecular modeling have further facilitated the study of 3-(4-Methylphenyl)piperidine Hydrochloride. These techniques allow researchers to predict the behavior of the compound in different biological environments, aiding in the design of targeted interventions. The integration of experimental data with computational insights has provided a more comprehensive understanding of how this compound interacts with biological targets, paving the way for more effective drug development strategies.

The synthesis of 3-(4-Methylphenyl)piperidine Hydrochloride involves multi-step organic reactions, typically starting from readily available precursors such as 4-methylbenzaldehyde and piperidine derivatives. The process often includes functional group transformations, such as condensation reactions followed by hydrochlorination to yield the final salt form. Optimizing these synthetic routes is crucial for ensuring high yields and purity, which are essential for pharmaceutical applications.

Quality control and analytical methods play a vital role in characterizing 3-(4-Methylphenyl)piperidine Hydrochloride. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) are commonly employed to confirm the identity and purity of the compound. These analytical tools provide detailed information about the molecular structure and chemical properties, ensuring that the compound meets pharmaceutical standards.

The pharmacokinetic behavior of 3-(4-Methylphenyl)piperidine Hydrochloride is another area of active research. Understanding how the compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for determining its therapeutic potential and safety profile. Preclinical studies have begun to explore these aspects, providing valuable insights into the compound's behavior in vivo.

In conclusion, 3-(4-Methylphenyl)piperidine Hydrochloride (CAS No. 65367-98-8) represents a promising candidate in pharmaceutical research due to its unique structural features and potential pharmacological applications. Ongoing studies continue to unravel its mechanisms of action and explore new synthetic pathways, contributing to advancements in drug discovery and development. As research progresses, this compound is expected to play a significant role in addressing various therapeutic challenges.

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