CAS 865660-19-1

Methyl 3-amino-2-[[4-(2,6-dimethylphenyl)-1-piperazinyl]methyl]benzoate

Description:

Methyl 3-amino-2-[[4-(2,6-dimethylphenyl)-1-piperazinyl]methyl]benzoate, identified by its CAS number 865660-19-1, is a chemical compound characterized by its complex structure, which includes a benzoate moiety, an amino group, and a piperazine ring. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity due to the presence of the piperazine, which is often associated with pharmacological effects. The dimethylphenyl group may contribute to its lipophilicity, influencing its interaction with biological membranes. The presence of the amino group suggests potential for hydrogen bonding, which can affect its reactivity and interaction with other molecules. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could modulate biological activity. As with many organic compounds, its stability, reactivity, and biological properties would depend on environmental conditions and the presence of other chemical species.

Formula: C₂₁H₂₇N₃O₂

InChI: InChI=1S/C21H27N3O2/c1-15-6-4-7-16(2)20(15)24-12-10-23(11-13-24)14-18-17(21(25)26-3)8-5-9-19(18)22/h4-9H,10-14,22H2,1-3H3

InChI key: InChIKey=IBBWSQHOBDVPGV-UHFFFAOYSA-N

SMILES: CC1=C(C(C)=CC=C1)N2CCN(CC3=C(C(OC)=O)C=CC=C3N)CC2

Synonyms:

• Benzoic acid, 3-amino-2-[[4-(2,6-dimethylphenyl)-1-piperazinyl]methyl]-, methyl ester
• Methyl 3-amino-2-[[4-(2,6-dimethylphenyl)-1-piperazinyl]methyl]benzoate
• METHYL 3-AMINO-2-([4-(2,6-DIMETHYLPHENYL)PIPERAZINO]METHYL)BENZENECARBOXYLATE