CAS 1131622-70-2

Methyl 4-(3-butyl-1-piperazinyl)benzoate

Description:

Methyl 4-(3-butyl-1-piperazinyl)benzoate is a chemical compound characterized by its structure, which includes a benzoate moiety linked to a piperazine ring with a butyl substituent. 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 that it may exhibit basic properties due to the nitrogen atoms, which can participate in hydrogen bonding and interact with biological systems. Methyl 4-(3-butyl-1-piperazinyl)benzoate may also display moderate lipophilicity, making it relevant in medicinal chemistry for drug design, particularly in the development of pharmaceuticals targeting central nervous system disorders. Its molecular structure may influence its pharmacokinetic properties, including absorption, distribution, metabolism, and excretion (ADME). As with many organic compounds, safety and handling precautions should be observed, as the biological activity and toxicity profile would need to be evaluated through experimental studies.

Formula: C₁₆H₂₄N₂O₂

InChI: InChI=1S/C16H24N2O2/c1-3-4-5-14-12-18(11-10-17-14)15-8-6-13(7-9-15)16(19)20-2/h6-9,14,17H,3-5,10-12H2,1-2H3

InChI key: InChIKey=HWVNOINYQFZFED-UHFFFAOYSA-N

SMILES: C(CCC)C1CN(C2=CC=C(C(OC)=O)C=C2)CCN1

Synonyms:

• Benzoic acid, 4-(3-butyl-1-piperazinyl)-, methyl ester
• Methyl 4-(3-butyl-1-piperazinyl)benzoate