CAS 1131622-73-5

Methyl 4-[(3-butyl-1-piperazinyl)methyl]benzoate

Description:

Methyl 4-[(3-butyl-1-piperazinyl)methyl]benzoate, identified by its CAS number 1131622-73-5, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and methanol. This compound features a piperazine ring, which is a six-membered cyclic amine, substituted with a butyl group, contributing to its hydrophobic properties. The presence of the methyl ester group enhances its solubility in organic solvents while potentially influencing its biological activity. The structure suggests that it may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its molecular configuration allows for various interactions, including hydrogen bonding and hydrophobic interactions, which can affect its reactivity and stability. Additionally, the compound's synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry, to confirm its identity and purity. Overall, Methyl 4-[(3-butyl-1-piperazinyl)methyl]benzoate represents a class of compounds that may have applications in drug development and other chemical industries.

Formula: C₁₇H₂₆N₂O₂

InChI: InChI=1S/C17H26N2O2/c1-3-4-5-16-13-19(11-10-18-16)12-14-6-8-15(9-7-14)17(20)21-2/h6-9,16,18H,3-5,10-13H2,1-2H3

InChI key: InChIKey=XCVCBVGWMPTVNU-UHFFFAOYSA-N

SMILES: C(N1CC(CCCC)NCC1)C2=CC=C(C(OC)=O)C=C2

Synonyms:

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