TL;DR: Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride (CAS 63957-31-3) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
Also Known As: Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride, KST-1B6983, 4-Isopropoxy-beta-(1-piperidyl)propiophenone hydrochloride, Propiophenone, 4'-isopropoxy-beta-piperidino-, hydrochloride, 1-(4-isopropoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride(1:1)
| Molecular Formula | C17H26ClNO2 |
| Molecular Weight | 311.1652 g/mol |
| XLogP | 3.95 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1652 Da |
| Heavy Atoms | 21 |
| Complexity | 289.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl |
| InChIKey | KSHPBBBLYZZQBO-UHFFFAOYSA-N |
The XLogP value of 3.95 indicates that Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride is 63957-31-3.
The molecular formula of Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride is C17H26ClNO2.
The molecular weight of Propiophenone, 4'-isopropoxy-3-piperidino-, hydrochloride is 311.1652 g/mol.
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