TL;DR: Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride (CAS 63918-86-5) is a chemical compound with molecular formula C21H24ClNO and molecular weight 341.15463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenanthren-3-yl-2-piperidin-1-ium-1-ylethanol chloride
Also Known As: 1-(Phenanthr-3'-yl)-2-piperidinoethanol hydrochloride, 3-(2-Piperidino-1-hydroxyethyl)phenanthrene hydrochloride, 1-phenanthren-3-yl-2-piperidin-1-ium-1-ylethanol chloride, ETHANOL, 1-(PHENANTHR-3'-YL)-2-PIPERIDINO-, HYDROCHLORIDE, 1-Piperidineethanol, .alpha.-3-phenanthrenyl-, hydrochloride
| Molecular Formula | C21H24ClNO |
| Molecular Weight | 341.15463 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.15463 Da |
| Heavy Atoms | 24 |
| Complexity | 378.0 |
| SMILES | C1CC[NH+](CC1)CC(C2=CC3=C(C=CC4=CC=CC=C43)C=C2)O.[Cl-] |
| InChIKey | UEOOUBQIRAHESV-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride. With a topological polar surface area (TPSA) of 24.7 Ų, Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride is 63918-86-5.
The molecular formula of Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride is C21H24ClNO.
The molecular weight of Ethanol, 1-(phenanthr-3'-yl)-2-piperidino-, hydrochloride is 341.15463 g/mol.
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