CAS 898762-75-9

ethyl 8-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-oxo-octanoate

Description:

Ethyl 8-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-oxo-octanoate, identified by its CAS number 898762-75-9, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone, and a piperazine moiety. This compound typically exhibits moderate to high lipophilicity due to its long carbon chain and aromatic ring, which can influence its solubility in organic solvents and its permeability through biological membranes. The presence of the piperazine ring suggests potential interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its molecular structure may confer specific biological activities, such as antimicrobial or antitumor properties, although detailed biological data would be necessary to confirm such effects. Additionally, the compound's stability, reactivity, and potential for forming derivatives can be influenced by the functional groups present, making it a candidate for further research in drug design and development.

Formula: C₂₂H₃₄N₂O₃

InChI: InChI=1/C22H34N2O3/c1-3-27-22(26)13-7-5-4-6-12-21(25)20-11-9-8-10-19(20)18-24-16-14-23(2)15-17-24/h8-11H,3-7,12-18H2,1-2H3

InChI key: InChIKey=KSDPIWLYIDOADJ-UHFFFAOYSA-N

SMILES: C(CCCCCCC(OCC)=O)(=O)C1=C(CN2CCN(C)CC2)C=CC=C1

Synonyms:

• Ethyl 2-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate
• Benzeneoctanoic acid, 2-[(4-methyl-1-piperazinyl)methyl]-η-oxo-, ethyl ester