CAS 898788-42-6

Benzonitrile, 2-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]-

Description:

Benzonitrile, 2-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]- is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a piperazine derivative. This compound features a benzoyl group attached to a piperazine ring, which is further substituted with a methyl group. The presence of the nitrile functional group (–C≡N) contributes to its polar nature, while the piperazine ring enhances its potential for biological activity, often making it relevant in pharmaceutical applications. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the presence of the piperazine ring may influence its pharmacokinetic properties, such as absorption and distribution. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or reactivity. Overall, this compound exemplifies the intersection of organic chemistry and medicinal applications.

Formula: C₂₀H₂₁N₃O

InChI: InChI=1S/C20H21N3O/c1-22-9-11-23(12-10-22)15-16-5-4-7-17(13-16)20(24)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3

InChI key: InChIKey=IRLBLYGBKLYCEC-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C#N)C=CC=C1)C2=CC(CN3CCN(C)CC3)=CC=C2

Synonyms:

• Benzonitrile, 2-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]-
• 2-[3-[(4-Methyl-1-piperazinyl)methyl]benzoyl]benzonitrile