CAS 1131622-99-5

1-(1,1-Dimethylethyl) 4-[(2-carboxyphenyl)methyl]-2-ethyl-1-piperazinecarboxylate

Description:

1-(1,1-Dimethylethyl) 4-[(2-carboxyphenyl)methyl]-2-ethyl-1-piperazinecarboxylate, identified by its CAS number 1131622-99-5, is a chemical compound characterized by its complex structure, which includes a piperazine ring, a carboxyphenyl group, and an ester functional group. This compound typically exhibits properties associated with piperazine derivatives, such as potential biological activity, including effects on the central nervous system or other pharmacological properties. The presence of the bulky tert-butyl group (1,1-dimethylethyl) may influence its lipophilicity and steric hindrance, affecting its interaction with biological targets. Additionally, the carboxylic acid moiety suggests potential for forming salts or participating in hydrogen bonding, which can enhance solubility in polar solvents. Overall, the compound's characteristics, including its molecular weight, solubility, and reactivity, would be influenced by its specific functional groups and overall molecular architecture, making it of interest in medicinal chemistry and drug development.

Formula: C₁₉H₂₈N₂O₄

InChI: InChI=1S/C19H28N2O4/c1-5-15-13-20(10-11-21(15)18(24)25-19(2,3)4)12-14-8-6-7-9-16(14)17(22)23/h6-9,15H,5,10-13H2,1-4H3,(H,22,23)

InChI key: InChIKey=PRQBVJRYQUIJEY-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(CC)CN(CC2=C(C(O)=O)C=CC=C2)CC1

Synonyms:

• 1-Piperazinecarboxylic acid, 4-[(2-carboxyphenyl)methyl]-2-ethyl-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 4-[(2-carboxyphenyl)methyl]-2-ethyl-1-piperazinecarboxylate