CAS 82117-52-0

1-(4-fluorophenyl)-4-[4-(isoquinolin-3-yl)piperazin-1-yl]butan-1-one hydrochloride (1:1)

Description:

1-(4-Fluorophenyl)-4-[4-(isoquinolin-3-yl)piperazin-1-yl]butan-1-one hydrochloride is a chemical compound characterized by its complex structure, which includes a butanone backbone substituted with a 4-fluorophenyl group and a piperazine moiety linked to an isoquinoline. This compound is typically classified as a pharmaceutical intermediate or a potential drug candidate due to its structural features that may interact with biological targets. The presence of the fluorine atom can enhance lipophilicity and metabolic stability, while the isoquinoline and piperazine components may contribute to its pharmacological activity. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, which is advantageous for formulation and bioavailability. The compound's specific interactions, efficacy, and safety profile would require thorough investigation through pharmacological studies and clinical trials. Overall, its unique structural characteristics suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents targeting neurological or psychiatric disorders.

Formula: C₂₃H₂₅ClFN₃O

InChI: InChI=1/C23H24FN3O.ClH/c24-21-9-7-18(8-10-21)22(28)6-3-11-26-12-14-27(15-13-26)23-16-19-4-1-2-5-20(19)17-25-23;/h1-2,4-5,7-10,16-17H,3,6,11-15H2;1H

SMILES: c1ccc2cnc(cc2c1)N1CCN(CCCC(=O)c2ccc(cc2)F)CC1.Cl

Synonyms:

• 1-Butanone, 1-(4-fluorophenyl)-4-(4-(3-isoquinolinyl)-1-piperazinyl)-, monohydrochloride
• 3-(4-(3-(4-Fluorobenzoyl)propyl)-1-piperazinyl)isoquinoline hcl