CAS 972-18-9

4-[(3-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile

Description:

4-[(3-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile, with the CAS number 972-18-9, is a chemical compound that belongs to the class of piperidine derivatives. This substance features a piperidine ring substituted with a phenylmethyl group and an amino group attached to a 3-methylphenyl moiety. The presence of the carbonitrile functional group contributes to its chemical reactivity and potential applications in medicinal chemistry. The compound is characterized by its relatively complex structure, which may influence its pharmacological properties, including potential interactions with biological targets. It is important to note that such compounds may exhibit varied solubility in organic solvents and water, depending on their functional groups. Additionally, the presence of aromatic rings often suggests potential for π-π stacking interactions, which can be relevant in drug design and molecular recognition processes. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or reactivity.

Formula: C₂₀H₂₃N₃

InChI: InChI=1S/C20H23N3/c1-17-6-5-9-19(14-17)22-20(16-21)10-12-23(13-11-20)15-18-7-3-2-4-8-18/h2-9,14,22H,10-13,15H2,1H3

InChI key: InChIKey=VRQNYTJDMMMAQU-UHFFFAOYSA-N

SMILES: N(C1(C#N)CCN(CC2=CC=CC=C2)CC1)C3=CC(C)=CC=C3

Synonyms:

• 1-Benzyl-4-[(3-Methylphenyl)Amino]Piperidine-4-Carbonitrile
• 4-Piperidinecarbonitrile, 4-[(3-methylphenyl)amino]-1-(phenylmethyl)-
• 4-[(3-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile
• Isonipecotonitrile, 1-benzyl-4-m-toluidino-
• NSC 73009
• St 38624