TL;DR: 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl (CAS 61271-42-9) is a chemical compound with molecular formula C30H30Cl2F5NO and molecular weight 585.1625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride
Also Known As: 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl, 4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)cyclohexyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-,hydrochloride, 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride, 1-[4,4-bis(p-fluorophenyl)cyclohexyl]-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol hydrochloride, 4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(1~4~,3~4~-difluoro-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-2~4~-yl)piperidin-4-ol--hydrogen chloride (1/1)
| Molecular Formula | C30H30Cl2F5NO |
| Molecular Weight | 585.1625 g/mol |
| XLogP | 8.2711 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 585.1625 Da |
| Heavy Atoms | 39 |
| Complexity | 739.0 |
| SMILES | C1CC(CCC1N2CCC(CC2)(C3=CC(=C(C=C3)Cl)C(F)(F)F)O)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.Cl |
| InChIKey | WYRAJZIAURCFOW-UHFFFAOYSA-N |
The XLogP value of 8.2711 indicates that 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl is 61271-42-9.
The molecular formula of 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl is C30H30Cl2F5NO.
The molecular weight of 1-(4,4-Bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol HCl is 585.1625 g/mol.
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