CAS 1131594-95-0

1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)methyl]-3-methyl-1-piperazinecarboxylate

Description:

1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)methyl]-3-methyl-1-piperazinecarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring, a carboxyphenyl group, and a tert-butyl substituent. This compound typically exhibits properties associated with piperazine derivatives, such as potential biological activity, including interactions with neurotransmitter receptors. The presence of the carboxylic acid functional group suggests it may exhibit acidic properties, while the tert-butyl group can influence its lipophilicity and steric hindrance. The compound's molecular structure may contribute to its solubility in organic solvents and its potential use in medicinal chemistry, particularly in the development of pharmaceuticals. Additionally, the presence of multiple functional groups indicates that it may participate in various chemical reactions, making it a versatile candidate for further research in drug design and synthesis. Overall, this compound's unique characteristics make it of interest in both academic and industrial chemistry contexts.

Formula: C₁₈H₂₆N₂O₄

InChI: InChI=1S/C18H26N2O4/c1-13-11-20(17(23)24-18(2,3)4)9-8-19(13)12-14-6-5-7-15(10-14)16(21)22/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,21,22)

InChI key: InChIKey=WXJUPHBDQQJGLJ-UHFFFAOYSA-N

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

Synonyms:

• 1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)methyl]-3-methyl-1-piperazinecarboxylate
• 1-Piperazinecarboxylic acid, 4-[(3-carboxyphenyl)methyl]-3-methyl-, 1-(1,1-dimethylethyl) ester