TL;DR: Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- (CAS 108661-81-0) is a chemical compound with molecular formula C23H32Cl2N2O3 and molecular weight 454.179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol;dihydrochloride
Also Known As: Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)-, (1-alpha,2-beta,6-beta)-2-(4-(3-Methoxyphenyl)-1-piperazinyl)-6-phenoxycyclohexanol 2HCl, (1-alpha,2-beta,6-beta)-2-(4-(3-Methoxyphenyl)-1-piperazinyl)-6-phenox ycyclohexanol 2HCl, (1R,2S,6R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol dihydrochloride, (1R,2S,6R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol;dihydrochloride
| Molecular Formula | C23H32Cl2N2O3 |
| Molecular Weight | 454.179 g/mol |
| XLogP | 4.0218 |
| Topological Polar Surface Area (TPSA) | 45.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.179 Da |
| Heavy Atoms | 30 |
| Complexity | 463.0 |
| SMILES | COC1=CC=CC(=C1)N2CCN(CC2)[C@H]3CCC[C@H]([C@@H]3O)OC4=CC=CC=C4.Cl.Cl |
| InChIKey | SKUWJYGIHMJSPR-LBMVOTDDSA-N |
The XLogP value of 4.0218 indicates that Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- has 3 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 Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- is 108661-81-0.
The molecular formula of Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- is C23H32Cl2N2O3.
The molecular weight of Cyclohexanol, 2-(4-(3-methoxyphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)- is 454.179 g/mol.
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