CAS 898792-70-6

3-[3-(1-Piperidinylmethyl)benzoyl]benzonitrile

Description:

3-[3-(1-Piperidinylmethyl)benzoyl]benzonitrile, with the CAS number 898792-70-6, is a chemical compound characterized by its complex structure, which includes a benzoyl group and a piperidine moiety. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions due to the presence of functional groups. The piperidine ring contributes to its basicity and can influence its solubility in different solvents. The presence of the nitrile group (-C≡N) suggests potential reactivity, particularly in nucleophilic addition reactions. This compound may be of interest in medicinal chemistry, potentially serving as a lead compound for the development of pharmaceuticals, given the biological activity often associated with piperidine derivatives. Its synthesis and characterization would involve standard organic chemistry techniques, including purification methods like recrystallization or chromatography. Overall, 3-[3-(1-Piperidinylmethyl)benzoyl]benzonitrile represents a versatile structure with potential applications in drug discovery and development.

Formula: C₂₀H₂₀N₂O

InChI: InChI=1S/C20H20N2O/c21-14-16-6-4-8-18(12-16)20(23)19-9-5-7-17(13-19)15-22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,15H2

InChI key: InChIKey=YASZOAHYSRXXNL-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC(CN2CCCCC2)=CC=C1)C3=CC(C#N)=CC=C3

Synonyms:

• Benzonitrile, 3-[3-(1-piperidinylmethyl)benzoyl]-
• 3-[3-(1-Piperidinylmethyl)benzoyl]benzonitrile