CAS 1000931-95-2

4-[(4-Methyl-1-piperidinyl)methyl]benzonitrile

Description:

4-[(4-Methyl-1-piperidinyl)methyl]benzonitrile, identified by its CAS number 1000931-95-2, is an organic compound characterized by its structural features, which include a benzonitrile moiety and a piperidine ring. The presence of the piperidine group, specifically substituted with a methyl group, contributes to its potential biological activity, making it of interest in medicinal chemistry. This compound typically exhibits a solid-state at room temperature and is soluble in organic solvents, reflecting its hydrophobic characteristics. Its molecular structure suggests it may engage in various interactions, such as hydrogen bonding and hydrophobic interactions, which are crucial for its reactivity and potential applications. The nitrile functional group indicates the presence of a carbon-nitrogen triple bond, which can influence the compound's electronic properties and reactivity. Overall, 4-[(4-Methyl-1-piperidinyl)methyl]benzonitrile is a compound of interest for further research, particularly in the fields of pharmaceuticals and organic synthesis.

Formula: C₁₄H₁₈N₂

InChI: InChI=1S/C14H18N2/c1-12-6-8-16(9-7-12)11-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3

InChI key: InChIKey=CSHDBZOBKRBPGW-UHFFFAOYSA-N

SMILES: C(C1=CC=C(C#N)C=C1)N2CCC(C)CC2

Synonyms:

• Benzonitrile, 4-[(4-methyl-1-piperidinyl)methyl]-
• 4-[(4-Methyl-1-piperidinyl)methyl]benzonitrile