TL;DR: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride (CAS 143760-29-6) is a chemical compound with molecular formula C36H44Cl3F2N3O and molecular weight 677.25183 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;trihydrochloride
Also Known As: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride, 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol trihydrochloride, 1-[Benzyl(phenyl)amino]-3-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}propan-2-ol--hydrogen chloride (1/3)
| Molecular Formula | C36H44Cl3F2N3O |
| Molecular Weight | 677.25183 g/mol |
| XLogP | 7.8276 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 677.25183 Da |
| Heavy Atoms | 45 |
| 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.Cl.Cl.Cl |
| InChIKey | YECOUTXOELYMKP-UHFFFAOYSA-N |
The XLogP value of 7.8276 indicates that 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride 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-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride is 143760-29-6.
The molecular formula of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride is C36H44Cl3F2N3O.
The molecular weight of 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-, trihydrochloride is 677.25183 g/mol.
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