CAS 1160474-74-7: 4-Nitro-2-(1-piperazinyl)benzonitrile

Description:4-Nitro-2-(1-piperazinyl)benzonitrile is a chemical compound characterized by its aromatic structure, which includes a nitro group and a piperazine moiety. The presence of the nitro group typically imparts electron-withdrawing properties, influencing the compound's reactivity and solubility. The piperazine ring, a six-membered cyclic amine, contributes to the compound's potential biological activity, often enhancing interactions with biological targets. This compound is likely to be a solid at room temperature, with moderate solubility in polar solvents due to the presence of the nitrile and piperazine functional groups. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as compounds with similar structures are often investigated for their therapeutic properties. Additionally, the presence of both the nitro and piperazine groups may provide opportunities for further chemical modifications, allowing for the exploration of structure-activity relationships in drug design. Safety and handling precautions should be observed, as with many nitro compounds, due to potential toxicity and environmental concerns.

Formula:C₁₁H₁₂N₄O₂

InChI:InChI=1S/C11H12N4O2/c12-8-9-1-2-10(15(16)17)7-11(9)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

InChI key:InChIKey=XWBKVBMBLPITOE-UHFFFAOYSA-N

SMILES:N#CC1=CC=C(C=C1N2CCNCC2)N(=O)=O