CAS 968-85-4

4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile

Description:

4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile, with the CAS number 968-85-4, is a chemical compound that belongs to the class of piperidine derivatives. This substance features a piperidine ring substituted with a cyclohexylamino group and a phenylmethyl group, along with a cyano group (-CN) at the 4-position. The presence of these functional groups contributes to its potential biological activity, making it of interest in medicinal chemistry. The compound is typically characterized by its solid state at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. Additionally, the compound's properties, such as melting point, boiling point, and reactivity, would be influenced by the steric and electronic effects of the substituents on the piperidine ring. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.

Formula: C₁₉H₂₇N₃

InChI: InChI=1S/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2

InChI key: InChIKey=MNEJRCLOVDRIAQ-UHFFFAOYSA-N

SMILES: N(C1(C#N)CCN(CC2=CC=CC=C2)CC1)C3CCCCC3

Synonyms:

• 4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile
• Isonipecotonitrile, 1-benzyl-4-(cyclohexylamino)-
• 4-Piperidinecarbonitrile, 4-(cyclohexylamino)-1-(phenylmethyl)-
• NSC 73006
• 1-Benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile