TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine (CAS 143760-28-5) is a chemical compound with molecular formula C36H41F2N3O and molecular weight 569.3218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol, 1-[Benzyl(phenyl)amino]-3-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}propan-2-ol
| Molecular Formula | C36H41F2N3O |
| Molecular Weight | 569.3218 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 569.3218 Da |
| Heavy Atoms | 42 |
| Complexity | 699.0 |
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CN(CC4=CC=CC=C4)C5=CC=CC=C5)O |
| InChIKey | QFSSEKVIZBZQMA-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine is 143760-28-5.
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine is C36H41F2N3O.
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(phenyl(phenylmethyl)amino)propyl)piperazine is 569.3218 g/mol.
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