TL;DR: 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone (CAS 163858-61-5) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
Also Known As: 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone, 2'-(2-Hydroxy-3-piperidinopropoxy)acetophenone, 2 -(2-Hydroxy-3-piperidinopropoxy)acetophenone, Ethanone, 1-[2-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]-, 1-{2-[2-hydroxy-3-(piperidin-1-yl)propoxy]phenyl}ethan-1-one
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.1678 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1678 Da |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
| SMILES | CC(=O)C1=CC=CC=C1OCC(CN2CCCCC2)O |
| InChIKey | CKFCUQCADGWOMJ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone. With a topological polar surface area (TPSA) of 49.8 Ų, 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone is 163858-61-5.
The molecular formula of 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone is C16H23NO3.
The molecular weight of 1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone is 277.1678 g/mol.
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