CAS 898762-71-5

Ethyl 2-[(4-methyl-1-piperazinyl)methyl]-ε-oxobenzenehexanoate

Description:

Ethyl 2-[(4-methyl-1-piperazinyl)methyl]-ε-oxobenzenehexanoate, identified by its CAS number 898762-71-5, is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group, a piperazine moiety, and a benzene ring with an oxo group. This compound typically exhibits properties associated with both lipophilicity and hydrophilicity due to the presence of both hydrophobic aromatic and hydrophilic piperazine components. It may demonstrate moderate to high solubility in organic solvents while showing limited solubility in water. The piperazine ring can contribute to biological activity, potentially influencing pharmacological properties such as receptor binding or enzyme inhibition. Additionally, the presence of the ethyl ester suggests that it may undergo hydrolysis in biological systems, leading to the release of the corresponding acid and alcohol. Overall, this compound's unique structural features may render it of interest in medicinal chemistry and drug development, particularly in the design of compounds targeting central nervous system disorders or other therapeutic areas.

Formula: C₂₀H₃₀N₂O₃

InChI: InChI=1S/C20H30N2O3/c1-3-25-20(24)11-7-6-10-19(23)18-9-5-4-8-17(18)16-22-14-12-21(2)13-15-22/h4-5,8-9H,3,6-7,10-16H2,1-2H3

InChI key: InChIKey=QDCOTDKDXFOBKX-UHFFFAOYSA-N

SMILES: C(C1=C(C(CCCCC(OCC)=O)=O)C=CC=C1)N2CCN(C)CC2

Synonyms:

• Benzenehexanoic acid, 2-[(4-methyl-1-piperazinyl)methyl]-ε-oxo-, ethyl ester
• Ethyl 2-[(4-methyl-1-piperazinyl)methyl]-ε-oxobenzenehexanoate