Cas no 946681-99-8 (4-(2,4,5-Trimethylphenyl)piperidine)

4-(2,4,5-Trimethylphenyl)piperidine is a substituted piperidine derivative featuring a trimethylphenyl group at the 4-position. This compound is of interest in organic synthesis and medicinal chemistry due to its structural versatility, serving as a key intermediate in the development of pharmacologically active molecules. The trimethylphenyl moiety enhances lipophilicity, potentially improving membrane permeability in drug design applications. Its piperidine core offers a rigid scaffold for further functionalization, enabling the synthesis of diverse analogs. The compound’s well-defined stereochemistry and stability under standard conditions make it suitable for precise synthetic modifications. Researchers value its utility in constructing complex heterocyclic systems for targeted biological studies.
4-(2,4,5-Trimethylphenyl)piperidine structure
946681-99-8 structure
Product Name:4-(2,4,5-Trimethylphenyl)piperidine
CAS No:946681-99-8
MF:C14H21N
MW:203.32324385643
CID:4721152
PubChem ID:26188955
Update Time:2025-11-02

4-(2,4,5-Trimethylphenyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • 4-(2,4,5-Trimethylphenyl)piperidine
    • Inchi: 1S/C14H21N/c1-10-8-12(3)14(9-11(10)2)13-4-6-15-7-5-13/h8-9,13,15H,4-7H2,1-3H3
    • InChI Key: FDTMCQVEYOFOCB-UHFFFAOYSA-N
    • SMILES: N1CCC(C2C=C(C)C(C)=CC=2C)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 196
  • Topological Polar Surface Area: 12

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Additional information on 4-(2,4,5-Trimethylphenyl)piperidine

Comprehensive Guide to 4-(2,4,5-Trimethylphenyl)piperidine (CAS No. 946681-99-8): Properties, Applications, and Market Insights

4-(2,4,5-Trimethylphenyl)piperidine (CAS No. 946681-99-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This piperidine derivative, characterized by its trimethylphenyl substitution, exhibits unique structural and functional properties, making it valuable for various applications. Researchers and industry professionals frequently search for terms like "4-(2,4,5-Trimethylphenyl)piperidine uses," "CAS 946681-99-8 synthesis," and "piperidine derivatives in drug discovery," reflecting its relevance in modern chemistry.

The molecular structure of 4-(2,4,5-Trimethylphenyl)piperidine combines a piperidine ring with a 2,4,5-trimethylphenyl group, contributing to its distinct chemical behavior. Its lipophilic nature and steric effects influence solubility, reactivity, and binding affinity, which are critical for applications in medicinal chemistry. Recent trends highlight its potential as a building block for bioactive molecules, particularly in the development of CNS-targeting drugs and enzyme inhibitors. These properties align with growing interest in neuropharmacology and precision medicine.

In pharmaceutical research, 4-(2,4,5-Trimethylphenyl)piperidine serves as a key intermediate for synthesizing compounds with potential therapeutic effects. Its structural motif is explored in dopamine receptor modulators and serotonergic agents, addressing conditions like Parkinson’s disease and depression. Searches for "piperidine-based drug candidates 2024" or "CAS 946681-99-8 in CNS drugs" underscore its role in cutting-edge drug design. Additionally, its utility extends to catalysis and material science, where its aromatic system aids in designing ligands for metal complexes.

The synthesis of 4-(2,4,5-Trimethylphenyl)piperidine typically involves Pd-catalyzed cross-coupling or reductive amination techniques, topics frequently queried as "how to synthesize 4-(2,4,5-Trimethylphenyl)piperidine." Optimizing yield and purity remains a focus, with green chemistry principles gaining traction. Environmental concerns have spurred interest in "sustainable synthesis of piperidine derivatives," aligning with global ESG (Environmental, Social, and Governance) goals in chemical manufacturing.

Market demand for 4-(2,4,5-Trimethylphenyl)piperidine is driven by its versatility and scalability. Suppliers emphasize "high-purity CAS 946681-99-8" for research-grade applications, while cost-effective bulk production supports industrial use. The compound’s niche in neurodegenerative disease research and personalized therapeutics positions it as a high-growth segment, with analysts noting increased patent filings related to piperidine scaffolds.

Safety and handling of 4-(2,4,5-Trimethylphenyl)piperidine adhere to standard laboratory protocols, with MSDS data emphasizing proper ventilation and PPE (Personal Protective Equipment). Regulatory compliance ensures its use aligns with REACH and FDA guidelines, particularly in pharmaceutical contexts. Queries like "is 4-(2,4,5-Trimethylphenyl)piperidine toxic" reflect user concerns, underscoring the need for transparent safety information.

Future prospects for 4-(2,4,5-Trimethylphenyl)piperidine include advancements in AI-driven drug discovery, where its structure is analyzed for QSAR (Quantitative Structure-Activity Relationship) modeling. Collaborations between academia and biotech firms aim to exploit its pharmacophore potential, resonating with trends like "computational chemistry in drug development." As research evolves, this compound is poised to play a pivotal role in next-generation therapeutics and smart materials.

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