CAS 898789-55-4

Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate

Description:

Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate, identified by its CAS number 898789-55-4, is a chemical compound that features a complex structure combining an ethyl ester with a piperazine moiety. This compound typically exhibits characteristics such as moderate solubility in organic solvents and potential bioactivity due to the presence of the piperazine ring, which is known for its pharmacological properties. The presence of the η-oxobenzene group suggests that it may participate in various chemical reactions, including nucleophilic substitutions or electrophilic additions. Additionally, the octanoate chain contributes to its lipophilicity, which can influence its interaction with biological membranes and its overall pharmacokinetic profile. The compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could enhance binding affinity to biological targets. As with many chemical substances, safety and handling precautions should be observed, given the potential for toxicity or reactivity.

Formula: C₂₂H₃₄N₂O₃

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

InChI key: InChIKey=NIDWATZAIRDBNH-UHFFFAOYSA-N

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

Synonyms:

• Benzeneoctanoic acid, 3-[(4-methyl-1-piperazinyl)methyl]-η-oxo-, ethyl ester
• Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate