CAS 1131622-75-7

Methyl 2-[(3-butyl-1-piperazinyl)methyl]benzoate

Description:

Methyl 2-[(3-butyl-1-piperazinyl)methyl]benzoate, identified by its CAS number 1131622-75-7, is a chemical compound that features a benzoate ester structure. This substance is characterized by the presence of a methyl ester group attached to a benzoic acid derivative, along with a piperazine moiety that includes a butyl substituent. The piperazine ring contributes to the compound's potential biological activity, as piperazines are often associated with pharmacological properties. The presence of the butyl group enhances lipophilicity, which may influence the compound's solubility and permeability in biological systems. Methyl 2-[(3-butyl-1-piperazinyl)methyl]benzoate may exhibit various chemical properties, including reactivity with nucleophiles due to the ester functionality. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting central nervous system disorders or other therapeutic areas. However, specific data regarding its toxicity, stability, and detailed biological activity would require further investigation and empirical studies.

Formula: C₁₇H₂₆N₂O₂

InChI: InChI=1S/C17H26N2O2/c1-3-4-8-15-13-19(11-10-18-15)12-14-7-5-6-9-16(14)17(20)21-2/h5-7,9,15,18H,3-4,8,10-13H2,1-2H3

InChI key: InChIKey=WQLMEPDMKSICJJ-UHFFFAOYSA-N

SMILES: C(C1=C(C(OC)=O)C=CC=C1)N2CC(CCCC)NCC2

Synonyms:

• Methyl 2-[(3-butyl-1-piperazinyl)methyl]benzoate
• Benzoic acid, 2-[(3-butyl-1-piperazinyl)methyl]-, methyl ester