Cas no 1499819-64-5 (3-(4-tert-Butylcyclohexyl)piperidine)

3-(4-tert-Butylcyclohexyl)piperidine is a specialized organic compound featuring a piperidine moiety linked to a 4-tert-butylcyclohexyl group. This structure imparts unique steric and electronic properties, making it valuable in pharmaceutical and agrochemical research as a versatile intermediate. The tert-butylcyclohexyl group enhances lipophilicity and conformational stability, while the piperidine ring offers a basic nitrogen center for further functionalization. Its rigid cyclohexyl framework contributes to controlled stereochemistry, which is critical in designing bioactive molecules. The compound is particularly useful in the synthesis of chiral ligands, catalysts, and pharmacophores, where precise spatial arrangement is essential. High purity grades ensure reproducibility in synthetic applications.
3-(4-tert-Butylcyclohexyl)piperidine structure
1499819-64-5 structure
Product Name:3-(4-tert-Butylcyclohexyl)piperidine
CAS No:1499819-64-5
MF:C15H29N
MW:223.397464513779
CID:5715758
PubChem ID:83404144
Update Time:2025-06-14

3-(4-tert-Butylcyclohexyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • 3-(4-tert-Butylcyclohexyl)piperidine
    • EN300-722138
    • 1499819-64-5
    • Piperidine, 3-[4-(1,1-dimethylethyl)cyclohexyl]-
    • Inchi: 1S/C15H29N/c1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13/h12-14,16H,4-11H2,1-3H3
    • InChI Key: YKDSSUGAKCCOIN-UHFFFAOYSA-N
    • SMILES: N1CCCC(C1)C1CCC(C(C)(C)C)CC1

Computed Properties

  • Exact Mass: 223.229999929g/mol
  • Monoisotopic Mass: 223.229999929g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 4.7
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 0.897±0.06 g/cm3(Predicted)
  • Boiling Point: 299.7±8.0 °C(Predicted)
  • pka: 10.38±0.10(Predicted)

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Additional information on 3-(4-tert-Butylcyclohexyl)piperidine

Comprehensive Overview of 3-(4-tert-Butylcyclohexyl)piperidine (CAS No. 1499819-64-5): Properties, Applications, and Industry Insights

3-(4-tert-Butylcyclohexyl)piperidine (CAS No. 1499819-64-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural features. This compound combines a piperidine ring with a 4-tert-butylcyclohexyl moiety, offering a versatile scaffold for drug discovery and material science applications. Its molecular formula, C15H29N, and precise stereochemistry make it a valuable intermediate in synthesizing bioactive molecules.

In recent years, the demand for high-purity cyclic amines like 3-(4-tert-Butylcyclohexyl)piperidine has surged, driven by advancements in central nervous system (CNS) drug development and catalysis. Researchers frequently search for "piperidine derivatives in medicinal chemistry" or "tert-butylcyclohexyl compounds solubility," reflecting its relevance in optimizing drug pharmacokinetics. The compound's lipophilic tert-butyl group enhances membrane permeability, a critical factor in blood-brain barrier penetration—a hot topic in neurodegenerative disease research.

The synthesis of 1499819-64-5 typically involves multi-step organic reactions, including hydrogenation and reductive amination, with yields optimized through modern flow chemistry techniques. Analytical characterization via NMR spectroscopy and HPLC-MS confirms its structural integrity, while computational studies (e.g., molecular docking) explore its potential as a ligand for G-protein-coupled receptors. These methodologies align with the growing interest in "AI-driven molecular design" and "green chemistry alternatives," as industries seek sustainable synthetic routes.

Beyond pharmaceuticals, 3-(4-tert-Butylcyclohexyl)piperidine finds niche applications in advanced material science, particularly in designing liquid crystal displays (LCDs) and polymeric coatings. Its rigid cyclohexyl-piperidine backbone contributes to thermal stability, a property highly sought after in "high-performance polymers"—a trending search term among material engineers. Regulatory compliance with REACH and FDA guidelines further underscores its industrial viability.

Future research directions for CAS No. 1499819-64-5 may focus on its enantioselective synthesis, given the rising demand for chiral building blocks in asymmetric catalysis. With the compound's patent landscape evolving, stakeholders monitor "IP protection strategies for specialty chemicals" to capitalize on its commercial potential. Collaborative efforts between academia and industry continue to unlock novel applications, reinforcing its role in next-generation bioactive materials.

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