TL;DR: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride (CAS 1052405-14-7) is a chemical compound with molecular formula C23H33Cl2FN2O2 and molecular weight 458.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
Also Known As: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride, F0874-0057, 1-(4-(tert-butyl)phenoxy)-3-(4-(2-fluorophenyl)piperazin-1-yl)propan-2-ol dihydrochloride, 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride, 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Dihydrochloride
| Molecular Formula | C23H33Cl2FN2O2 |
| Molecular Weight | 458.1903 g/mol |
| XLogP | 4.5287 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.1903 Da |
| Heavy Atoms | 30 |
| Complexity | 454.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3F)O.Cl.Cl |
| InChIKey | LPUJPCAUTWWGRL-UHFFFAOYSA-N |
The XLogP value of 4.5287 indicates that 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride 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 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride is 1052405-14-7.
The molecular formula of 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride is C23H33Cl2FN2O2.
The molecular weight of 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride is 458.1903 g/mol.
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