TL;DR: 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone (CAS 51037-47-9) is a chemical compound with molecular formula C20H23FN2O2 and molecular weight 342.17435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
Also Known As: 4'-Fluoro-2-hydroxy-4-(4-phenylpiperazin-1-yl)butyrophenone, 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone, 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one, 4'-Fluoro-2-hydroxy-4-(4-phenyl-1-piperazinyl)butyrophenone, BUTYROPHENONE, 4'-FLUORO-2-HYDROXY-4-(4-PHENYL-1-PIPERAZINYL)-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H23FN2O2 |
| Molecular Weight | 342.17435 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.17435 Da |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
| SMILES | C1CN(CCN1CCC(C(=O)C2=CC=C(C=C2)F)O)C3=CC=CC=C3 |
| InChIKey | DTQPKKCVUDORIM-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone is 51037-47-9.
The molecular formula of 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone is C20H23FN2O2.
The molecular weight of 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone is 342.17435 g/mol.
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