CAS 1158746-88-3

2-(3-Piperidinylmethyl)benzonitrile

Description:

2-(3-Piperidinylmethyl)benzonitrile, identified by its CAS number 1158746-88-3, is a chemical compound characterized by its structural features, which include a benzonitrile moiety and a piperidine ring. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential biological activity. The presence of the nitrile group (-C≡N) suggests that it may participate in various chemical reactions, including nucleophilic additions and cycloadditions. The piperidine ring, a six-membered saturated nitrogen-containing heterocycle, can influence the compound's solubility and interaction with biological targets. This substance may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential as a ligand for various receptors or enzymes. Additionally, its unique structure may impart specific pharmacokinetic and pharmacodynamic properties, making it a candidate for further research in drug discovery and development. As with many organic compounds, safety and handling precautions should be observed, given the potential toxicity associated with certain functional groups.

Formula: C₁₃H₁₆N₂

InChI: InChI=1S/C13H16N2/c14-9-13-6-2-1-5-12(13)8-11-4-3-7-15-10-11/h1-2,5-6,11,15H,3-4,7-8,10H2

InChI key: InChIKey=SLQIBPXGJSEYHN-UHFFFAOYSA-N

SMILES: C(C1=C(C#N)C=CC=C1)C2CCCNC2

Synonyms:

• Benzonitrile, 2-(3-piperidinylmethyl)-
• 2-(3-Piperidinylmethyl)benzonitrile