CAS 1643358-01-3

(+)-1,4-Bis(1,1-dimethylethyl) 2-(4-chlorophenyl)-1,4-piperazinedicarboxylate

Description:

(+)-1,4-Bis(1,1-dimethylethyl) 2-(4-chlorophenyl)-1,4-piperazinedicarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring substituted with two carboxylate groups and a 4-chlorophenyl group. The presence of two bulky tert-butyl groups enhances its lipophilicity, potentially influencing its solubility and bioavailability. This compound is likely to exhibit specific pharmacological properties due to its piperazine core, which is commonly found in various pharmaceuticals, particularly in the development of antidepressants and antipsychotics. The chlorophenyl substituent may also contribute to its biological activity by interacting with various receptors or enzymes. Additionally, the stereochemistry indicated by the "(+)" prefix suggests that it is the enantiomer with specific spatial arrangements, which can significantly affect its interaction with biological systems. Overall, this compound's unique structural features may lead to interesting applications in medicinal chemistry and drug development.

Formula: C₂₀H₂₉ClN₂O₄

InChI: InChI=1/C20H29ClN2O4/c1-19(2,3)26-17(24)22-11-12-23(18(25)27-20(4,5)6)16(13-22)14-7-9-15(21)10-8-14/h7-10,16H,11-13H2,1-6H3

InChI key: InChIKey=XCWWVMIKMXDYJM-UHFFFAOYNA-N

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

Synonyms:

• 1,4-Piperazinedicarboxylic acid, 2-(4-chlorophenyl)-, 1,4-bis(1,1-dimethylethyl) ester, (+)-
• (+)-1,4-Bis(1,1-dimethylethyl) 2-(4-chlorophenyl)-1,4-piperazinedicarboxylate