CAS 1355247-99-2

1,1-Dimethylethyl 4-[(5-bromo-2-fluorophenyl)methyl]-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-[(5-bromo-2-fluorophenyl)methyl]-1-piperazinecarboxylate, identified by its CAS number 1355247-99-2, is a chemical compound characterized by its complex structure, which includes a piperazine ring, a carboxylate group, and a substituted phenyl moiety. The presence of the 5-bromo and 2-fluoro substituents on the phenyl ring suggests potential for varied reactivity and biological activity, as halogenated compounds often exhibit unique pharmacological properties. The dimethyl group attached to the piperazine enhances steric hindrance, which may influence the compound's interaction with biological targets. This compound is likely to be soluble in organic solvents, and its stability can be affected by environmental factors such as pH and temperature. Given its structural features, it may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or enzymes. However, detailed studies on its toxicity, bioavailability, and specific applications would be necessary to fully understand its potential uses and safety profile.

Formula: C₁₆H₂₂BrFN₂O₂

InChI: InChI=1S/C16H22BrFN2O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-12-10-13(17)4-5-14(12)18/h4-5,10H,6-9,11H2,1-3H3

InChI key: InChIKey=QCNUIUCTFIJPDH-UHFFFAOYSA-N

SMILES: C(C1=C(F)C=CC(Br)=C1)N2CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

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