CAS 1016743-09-1

3-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile

Description:

3-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile, identified by its CAS number 1016743-09-1, is a chemical compound characterized by its unique structure, which includes a benzonitrile moiety and a piperazine ring. The presence of the piperazine group suggests potential biological activity, as piperazines are often found in pharmacologically active compounds. This substance features a carbonyl group attached to the piperazine, indicating it may participate in various chemical reactions, such as nucleophilic attacks or hydrogen bonding. The nitrile functional group contributes to its polarity and can influence solubility in organic solvents. Additionally, the methyl substitution on the piperazine ring may affect the compound's steric and electronic properties, potentially enhancing its interaction with biological targets. Overall, this compound's structural characteristics suggest it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting central nervous system disorders or other therapeutic areas. Further studies would be necessary to elucidate its specific properties and potential uses.

Formula: C₁₃H₁₅N₃O

InChI: InChI=1S/C13H15N3O/c1-15-5-7-16(8-6-15)13(17)12-4-2-3-11(9-12)10-14/h2-4,9H,5-8H2,1H3

InChI key: InChIKey=HTCKMCYBZPGTQK-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC(C#N)=CC=C1)N2CCN(C)CC2

Synonyms:

• 3-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile
• 3-((4-Methylpiperazin-1-yl)carbonyl)benzonitrile
• Benzonitrile, 3-[(4-methyl-1-piperazinyl)carbonyl]-