Cas no 1337099-49-6 (3-(2,4,5-trimethylphenyl)methylpiperidine)

3-(2,4,5-Trimethylphenyl)methylpiperidine is a substituted piperidine derivative featuring a 2,4,5-trimethylphenylmethyl group. This compound is of interest in medicinal and synthetic chemistry due to its structural framework, which may serve as a versatile intermediate for the development of pharmacologically active molecules. The trimethylphenyl moiety enhances lipophilicity, potentially improving membrane permeability, while the piperidine core offers a rigid scaffold for further functionalization. Its well-defined stereochemistry and modular structure make it suitable for applications in ligand design and as a building block in heterocyclic synthesis. The compound’s stability under standard conditions further supports its utility in research and industrial processes.
3-(2,4,5-trimethylphenyl)methylpiperidine structure
1337099-49-6 structure
Product Name:3-(2,4,5-trimethylphenyl)methylpiperidine
CAS No:1337099-49-6
MF:C15H23N
MW:217.34982419014
CID:5752917
PubChem ID:64989759
Update Time:2025-11-02

3-(2,4,5-trimethylphenyl)methylpiperidine Chemical and Physical Properties

Names and Identifiers

    • EN300-1850453
    • 3-[(2,4,5-trimethylphenyl)methyl]piperidine
    • 1337099-49-6
    • AKOS014321106
    • 3-(2,4,5-trimethylphenyl)methylpiperidine
    • Inchi: 1S/C15H23N/c1-11-7-13(3)15(8-12(11)2)9-14-5-4-6-16-10-14/h7-8,14,16H,4-6,9-10H2,1-3H3
    • InChI Key: LTKMGIUHIWAJIQ-UHFFFAOYSA-N
    • SMILES: N1CCCC(CC2C=C(C)C(C)=CC=2C)C1

Computed Properties

  • Exact Mass: 217.183049738g/mol
  • Monoisotopic Mass: 217.183049738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 214
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 12?2

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3-(2,4,5-trimethylphenyl)methylpiperidine Related Literature

Additional information on 3-(2,4,5-trimethylphenyl)methylpiperidine

3-(2,4,5-Trimethylphenyl)methylpiperidine (CAS 1337099-49-6): A Comprehensive Overview

3-(2,4,5-Trimethylphenyl)methylpiperidine (CAS 1337099-49-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This piperidine derivative, characterized by its unique trimethylphenyl substitution pattern, is increasingly studied for its potential applications in drug discovery and material science. With the growing interest in heterocyclic compounds and small molecule therapeutics, this compound presents intriguing possibilities for researchers exploring novel bioactive molecules.

The molecular structure of 3-(2,4,5-trimethylphenyl)methylpiperidine features a piperidine ring attached to a 2,4,5-trimethylbenzyl group, creating a distinctive spatial arrangement that influences its chemical behavior. Recent studies suggest that such piperidine derivatives may offer advantages in terms of metabolic stability and bioavailability compared to other cyclic amines. The compound's CAS 1337099-49-6 serves as a crucial identifier for researchers searching for specific information about this molecule in chemical databases and scientific literature.

In pharmaceutical applications, 3-(2,4,5-trimethylphenyl)methylpiperidine has shown promise as a potential building block for central nervous system (CNS) drugs. The piperidine moiety is known to interact with various neurotransmitter receptors, while the trimethylphenyl group may contribute to lipophilicity and blood-brain barrier penetration. These properties align with current research trends focusing on neuroprotective agents and neuromodulators, addressing widespread interest in neurological health and cognitive enhancement.

The synthesis of CAS 1337099-49-6 typically involves multi-step organic reactions, with researchers continuously optimizing protocols to improve yield and purity. Modern techniques such as flow chemistry and catalytic hydrogenation have been explored for producing this and similar piperidine-based compounds. These advancements respond to the growing demand for efficient and sustainable synthetic methods in pharmaceutical chemistry.

From a commercial perspective, 3-(2,4,5-trimethylphenyl)methylpiperidine has seen increasing interest from contract research organizations and pharmaceutical developers. The compound's potential as a pharmacophore in drug design makes it valuable for medicinal chemistry programs. Market analysts note rising searches for custom synthesis of piperidine derivatives and specialty heterocyclic compounds, reflecting broader industry trends toward targeted molecular development.

Quality control of CAS 1337099-49-6 typically involves advanced analytical techniques including HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure the compound meets rigorous purity standards required for research applications. The analytical data also provides crucial information for researchers investigating structure-activity relationships in related compounds.

Storage and handling of 3-(2,4,5-trimethylphenyl)methylpiperidine require standard laboratory precautions for organic compounds. Proper containment in airtight containers under controlled temperatures helps maintain stability. These protocols align with general best practices for research chemicals and pharmaceutical intermediates.

Recent patent literature reveals growing intellectual property activity surrounding piperidine derivatives similar to CAS 1337099-49-6. Pharmaceutical companies are particularly interested in these structures for potential applications in neurological disorders and pain management. This trend corresponds with increasing public and scientific interest in non-opioid analgesics and alternative neuropharmacological approaches.

The environmental profile of 3-(2,4,5-trimethylphenyl)methylpiperidine is an area of ongoing study, with researchers examining its biodegradation pathways and ecotoxicological effects. These investigations respond to heightened awareness of green chemistry principles and environmental impact assessment in chemical development.

Future research directions for CAS 1337099-49-6 may explore its potential in catalysis, material science, and chemical biology. The compound's structural features make it interesting for developing molecular probes or functional materials. Such applications align with current scientific priorities in precision medicine and advanced materials development.

For researchers seeking 3-(2,4,5-trimethylphenyl)methylpiperidine, reliable suppliers typically provide comprehensive technical data including spectroscopic characterization, purity certificates, and safety information. The availability of these supporting documents is crucial for proper experimental design and regulatory compliance in various research settings.

In conclusion, CAS 1337099-49-6 represents an interesting example of functionalized piperidines with potential across multiple scientific disciplines. Its unique structural features and emerging applications make it a compound worth watching in chemical and pharmaceutical research. As interest grows in tailored heterocyclic compounds and small molecule therapeutics, 3-(2,4,5-trimethylphenyl)methylpiperidine continues to attract attention from researchers exploring novel molecular architectures and bioactive compounds.

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