TL;DR: 1-{4-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one (CAS 63815-49-6) is a chemical compound with molecular formula C23H29NO4 and molecular weight 383.20966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]propan-1-one
Also Known As: 1-{4-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one, 5-21-02-00361 (Beilstein Handbook Reference), 1-[4-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]propan-1-one, 3-(4-Hydroxy-4-phenylpiperino)-1-(4-propionylphenoxy)propan-2-ol, 4'-(2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino)propoxy)propiophenone
| Molecular Formula | C23H29NO4 |
| Molecular Weight | 383.20966 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.20966 Da |
| Heavy Atoms | 28 |
| Complexity | 475.0 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O |
| InChIKey | VBQYVPWJXQKIMF-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one. Following Lipinski's Rule of Five, 1-{4-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one has 2 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-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one is 63815-49-6.
The molecular formula of 1-{4-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one is C23H29NO4.
The molecular weight of 1-{4-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}propan-1-one is 383.20966 g/mol.
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