Cas no 1602995-90-3 (tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate)

tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate structure
1602995-90-3 structure
Product Name:tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CAS No:1602995-90-3
MF:C12H24N2O2
MW:228.331163406372
MDL:MFCD28613743
CID:4607818
PubChem ID:76695813
Update Time:2025-11-01

tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl ((3-methylpiperidin-4-yl)methyl)carbamate
    • tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate
    • tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate, Mixture of diastereomers
    • CPC99590
    • MDL: MFCD28613743
    • Inchi: 1S/C12H24N2O2/c1-9-7-13-6-5-10(9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
    • InChI Key: ALMDMKAJRBAOCD-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(NCC1CCNCC1C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 236
  • XLogP3: 1.7
  • Topological Polar Surface Area: 50.4

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Additional information on tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate

Comprehensive Overview of tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate (CAS No. 1602995-90-3)

tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate (CAS No. 1602995-90-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This carbamate derivative is widely recognized for its potential applications in drug discovery and development, particularly in the synthesis of bioactive molecules. The compound features a piperidine ring substituted with a methyl group and a tert-butyl carbamate moiety, making it a versatile intermediate for medicinal chemistry.

In recent years, the demand for tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate has surged due to its role in the development of central nervous system (CNS) therapeutics. Researchers are particularly interested in its potential to modulate neurotransmitter systems, which aligns with the growing focus on neurological disorders such as Alzheimer's disease and Parkinson's disease. The compound's unique structural properties enable it to interact with specific biological targets, making it a valuable tool for drug design and high-throughput screening.

One of the key advantages of tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate is its stability under various reaction conditions, which facilitates its use in multi-step synthetic routes. This characteristic is particularly important in the context of green chemistry, where minimizing waste and optimizing efficiency are critical. The compound's compatibility with catalytic hydrogenation and other modern synthetic techniques further enhances its appeal to chemists and pharmaceutical manufacturers.

The synthesis of tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate typically involves the protection of the amine group with a tert-butyloxycarbonyl (Boc) group, a strategy commonly employed in peptide synthesis. This approach ensures high yields and purity, which are essential for downstream applications. Additionally, the compound's chiral center offers opportunities for the development of enantioselective catalysts, a hot topic in asymmetric synthesis.

From a commercial perspective, tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate is available through specialized chemical suppliers, often in response to the increasing demand for custom synthesis services. Its CAS No. 1602995-90-3 serves as a unique identifier, ensuring accurate procurement and regulatory compliance. The compound's relevance to preclinical research and pharmacokinetic studies has also made it a subject of interest in academic and industrial settings.

In conclusion, tert-butyl N-[(3-methylpiperidin-4-yl)methyl]carbamate (CAS No. 1602995-90-3) represents a critical building block in modern chemistry and drug development. Its structural versatility, synthetic utility, and potential therapeutic applications underscore its importance in advancing medicinal chemistry and biotechnology. As research continues to explore its full potential, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in healthcare and science.

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