CAS 1241678-08-9

1,1-Dimethylethyl (3S)-3-(1,3-benzodioxol-5-yl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl (3S)-3-(1,3-benzodioxol-5-yl)-1-piperazinecarboxylate, identified by its CAS number 1241678-08-9, is a chemical compound characterized by its complex structure, which includes a piperazine ring and a benzodioxole moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric properties, potentially influencing its biological activity and solubility. The presence of the benzodioxole structure suggests potential interactions with biological targets, as this moiety is often associated with various pharmacological activities. The piperazine ring is known for its role in medicinal chemistry, frequently appearing in compounds with anxiolytic, antidepressant, and antipsychotic properties. The specific stereochemistry at the 3-position of the piperazine indicates that the compound may exhibit chirality, which can significantly affect its pharmacodynamics and pharmacokinetics. Overall, this compound's unique structural features suggest potential applications in drug development, although further studies would be necessary to elucidate its specific biological effects and therapeutic potential.

Formula: C₁₆H₂₂N₂O₄

InChI: InChI=1S/C16H22N2O4/c1-16(2,3)22-15(19)18-7-6-17-12(9-18)11-4-5-13-14(8-11)21-10-20-13/h4-5,8,12,17H,6-7,9-10H2,1-3H3/t12-/m1/s1

InChI key: InChIKey=XLPLNERULMLZNH-GFCCVEGCSA-N

SMILES: C(OC(C)(C)C)(=O)N1C[C@H](C=2C=C3C(=CC2)OCO3)NCC1

Synonyms:

• 1-Piperazinecarboxylic acid, 3-(1,3-benzodioxol-5-yl)-, 1,1-dimethylethyl ester, (3S)-
• 1,1-Dimethylethyl (3S)-3-(1,3-benzodioxol-5-yl)-1-piperazinecarboxylate