CAS 1131622-63-3

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

Description:

Methyl 3-[(2-methyl-1-piperazinyl)methyl]benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and methanol. The structure features a benzoate moiety with a piperazine ring substituted at the 3-position, indicating potential biological activity due to the presence of the piperazine, a common scaffold in pharmaceuticals. This compound is likely to exhibit moderate to high solubility in organic solvents, while its solubility in water may vary depending on the pH and the presence of other functional groups. The piperazine ring can contribute to hydrogen bonding and may influence the compound's pharmacokinetic properties, such as absorption and distribution. Additionally, the methyl group on the piperazine can affect the steric and electronic properties, potentially enhancing its interaction with biological targets. Overall, Methyl 3-[(2-methyl-1-piperazinyl)methyl]benzoate is of interest in medicinal chemistry, particularly for its potential applications in drug development.

Formula: C₁₄H₂₀N₂O₂

InChI: InChI=1S/C14H20N2O2/c1-11-9-15-6-7-16(11)10-12-4-3-5-13(8-12)14(17)18-2/h3-5,8,11,15H,6-7,9-10H2,1-2H3

InChI key: InChIKey=VZTRZUHQVWHAKU-UHFFFAOYSA-N

SMILES: C(C1=CC(C(OC)=O)=CC=C1)N2C(C)CNCC2

Synonyms:

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