CAS 1131622-97-3

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

Description:

1-(1,1-Dimethylethyl) 4-[(4-carboxyphenyl)methyl]-2-ethyl-1-piperazinecarboxylate, identified by its CAS number 1131622-97-3, is a chemical compound characterized by its complex structure, which includes a piperazine ring substituted with various functional groups. The presence of a carboxyphenyl group indicates potential for hydrogen bonding and reactivity, while the dimethylethyl substituent contributes to steric hindrance, influencing the compound's overall reactivity and solubility. This compound is likely to exhibit moderate polarity due to the combination of hydrophobic alkyl groups and polar functional groups. Its piperazine moiety suggests potential biological activity, as piperazine derivatives are often explored for pharmacological properties. The compound may be synthesized through multi-step organic reactions, and its stability can be influenced by environmental factors such as pH and temperature. Overall, this substance may have applications in medicinal chemistry or as an intermediate in the synthesis of more complex molecules.

Formula: C₁₉H₂₈N₂O₄

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

InChI key: InChIKey=NNEICFKHZYOTGX-UHFFFAOYSA-N

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

Synonyms:

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