CAS 1044598-92-6

1,1-Dimethylethyl 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]benzoate

Description:

1,1-Dimethylethyl 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]benzoate, identified by its CAS number 1044598-92-6, is a chemical compound characterized by its complex structure, which includes a benzoate moiety and a piperazine ring. This compound features a dimethyl-substituted cyclohexyl group, contributing to its steric bulk and potentially influencing its biological activity. The presence of the piperazine ring suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The ester functional group in the benzoate portion may impart specific solubility and reactivity characteristics, which can affect its pharmacokinetic properties. Additionally, the compound's lipophilicity, influenced by the bulky substituents, may play a role in its ability to cross biological membranes. Overall, this compound's unique structural features suggest potential applications in drug development, particularly in the design of therapeutics targeting central nervous system disorders or other conditions where piperazine derivatives are known to be effective.

Formula: C₂₄H₃₆N₂O₃

InChI: InChI=1S/C24H36N2O3/c1-23(2,3)29-22(28)18-6-8-20(9-7-18)26-14-12-25(13-15-26)17-19-16-24(4,5)11-10-21(19)27/h6-9,19H,10-17H2,1-5H3

InChI key: InChIKey=BJKLTCFOIXMNNY-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C1=CC=C(C=C1)N2CCN(CC3CC(C)(C)CCC3=O)CC2

Synonyms:

• Benzoic acid, 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]benzoate