CAS 1131622-62-2

Methyl 4-[(2-methyl-1-piperazinyl)methyl]benzoate

Description:

Methyl 4-[(2-methyl-1-piperazinyl)methyl]benzoate, identified by its CAS number 1131622-62-2, is an organic compound characterized by its ester functional group and a piperazine moiety. This substance features a methyl ester derived from benzoic acid, with a piperazine ring substituted at the para position of the aromatic ring. The presence of the piperazine group imparts potential biological activity, making it of interest in medicinal chemistry. Typically, compounds like this may exhibit properties such as solubility in organic solvents, moderate polarity, and potential interactions with biological targets due to the piperazine structure. The compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, influencing its reactivity and stability. Additionally, its synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry, to confirm its identity and purity. Overall, this compound's unique structure positions it as a candidate for further research in pharmacology and related fields.

Formula: C₁₄H₂₀N₂O₂

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

InChI key: InChIKey=VJJUZMBKVWKSAQ-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[(2-methyl-1-piperazinyl)methyl]-, methyl ester
• Methyl 4-[(2-methyl-1-piperazinyl)methyl]benzoate