CAS 1286755-25-6

1,1-Dimethylethyl 2-(2,4,5-trifluorophenyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 2-(2,4,5-trifluorophenyl)-1-piperazinecarboxylate, identified by its CAS number 1286755-25-6, is a chemical compound characterized by its complex structure, which includes a piperazine ring and a trifluorophenyl group. This compound typically exhibits properties associated with both lipophilicity and hydrophilicity due to the presence of various functional groups. The trifluorophenyl moiety contributes to its potential biological activity, as fluorinated compounds often exhibit enhanced metabolic stability and altered pharmacokinetics. The dimethyl group attached to the piperazine enhances steric hindrance, which may influence its interaction with biological targets. Additionally, the carboxylate functionality can participate in hydrogen bonding and ionic interactions, making it relevant in medicinal chemistry and drug design. Overall, this compound may be of interest in pharmaceutical research, particularly in the development of agents targeting specific receptors or pathways due to its unique structural features.

Formula: C₁₅H₁₉F₃N₂O₂

InChI: InChI=1S/C15H19F3N2O2/c1-15(2,3)22-14(21)20-5-4-19-8-13(20)9-6-11(17)12(18)7-10(9)16/h6-7,13,19H,4-5,8H2,1-3H3

InChI key: InChIKey=CAVMWSDIXDPQKA-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(CNCC1)C2=C(F)C=C(F)C(F)=C2

Synonyms:

• 1-Piperazinecarboxylic acid, 2-(2,4,5-trifluorophenyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-(2,4,5-trifluorophenyl)-1-piperazinecarboxylate