TL;DR: 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride (CAS 63938-87-4) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(2-methylpropyl)-4-phenylpiperidin-4-yl] propanoate;hydrochloride
Also Known As: KST-1B6969, 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride, Propionic acid, 4-(1-isobutyl-4-phenyl)piperidyl ester, hydrochloride, 1-(2-methylpropyl)-4-phenylpiperidin-4-yl propanoate hydrochloride(1:1), [1-(2-methylpropyl)-4-phenylpiperidin-4-yl] propanoate hydrochloride
| Molecular Formula | C18H28ClNO2 |
| Molecular Weight | 325.18085 g/mol |
| XLogP | 4.01 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.18085 Da |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
| SMILES | CCC(=O)OC1(CCN(CC1)CC(C)C)C2=CC=CC=C2.Cl |
| InChIKey | BQGXUBAXUARNTB-UHFFFAOYSA-N |
The XLogP value of 4.01 indicates that 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, 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, 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, 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 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride is 63938-87-4.
The molecular formula of 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride is C18H28ClNO2.
The molecular weight of 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride is 325.18085 g/mol.
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