CAS 898782-95-1

Ethyl 4-[2-[(4-methyl-1-piperazinyl)methyl]benzoyl]benzoate

Description:

Ethyl 4-[2-[(4-methyl-1-piperazinyl)methyl]benzoyl]benzoate, identified by its CAS number 898782-95-1, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester group and a piperazine moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential solubility in organic solvents. The presence of the piperazine ring suggests possible interactions with biological targets, making it of interest in medicinal chemistry. Ethyl 4-[2-[(4-methyl-1-piperazinyl)methyl]benzoyl]benzoate may display moderate to high lipophilicity due to its hydrophobic aromatic components, which can influence its pharmacokinetic properties. Additionally, the compound may participate in hydrogen bonding and other intermolecular interactions due to the functional groups present, affecting its reactivity and stability. Overall, this compound's unique structure positions it as a candidate for further research, particularly in the fields of drug development and chemical synthesis.

Formula: C₂₂H₂₆N₂O₃

InChI: InChI=1/C22H26N2O3/c1-3-27-22(26)18-10-8-17(9-11-18)21(25)20-7-5-4-6-19(20)16-24-14-12-23(2)13-15-24/h4-11H,3,12-16H2,1-2H3

InChI key: InChIKey=MSIPKLJXDCPTNQ-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(CN2CCN(C)CC2)C=CC=C1)C3=CC=C(C(OCC)=O)C=C3

Synonyms:

• Benzoic acid, 4-[2-[(4-methyl-1-piperazinyl)methyl]benzoyl]-, ethyl ester
• Ethyl 4-[2-[(4-methyl-1-piperazinyl)methyl]benzoyl]benzoate