CAS 1017782-71-6

1,1-Dimethylethyl 4-[(5-bromo-2-thienyl)carbonyl]-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-[(5-bromo-2-thienyl)carbonyl]-1-piperazinecarboxylate, identified by its CAS number 1017782-71-6, is a chemical compound that features a piperazine ring, which is a six-membered cyclic amine known for its biological activity. The presence of a thienyl group, specifically a 5-bromo-2-thienyl moiety, suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to the unique electronic and steric properties imparted by the bromine atom and the thiophene ring. The dimethyl group attached to the carbon chain enhances the lipophilicity of the compound, potentially influencing its bioavailability and interaction with biological targets. This compound may exhibit various pharmacological activities, making it of interest in drug discovery and development. Its structural characteristics suggest it could participate in hydrogen bonding and other intermolecular interactions, which are critical for its reactivity and biological function. Further studies would be necessary to elucidate its specific properties, including solubility, stability, and biological activity.

Formula: C₁₄H₁₉BrN₂O₃S

InChI: InChI=1S/C14H19BrN2O3S/c1-14(2,3)20-13(19)17-8-6-16(7-9-17)12(18)10-4-5-11(15)21-10/h4-5H,6-9H2,1-3H3

InChI key: InChIKey=AQGGMJYQYBZNAZ-UHFFFAOYSA-N

SMILES: C(=O)(N1CCN(C(OC(C)(C)C)=O)CC1)C=2SC(Br)=CC2

Synonyms:

• 1-Piperazinecarboxylic acid, 4-[(5-bromo-2-thienyl)carbonyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-[(5-bromo-2-thienyl)carbonyl]-1-piperazinecarboxylate