TL;DR: 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- (CAS 107234-92-4) is a chemical compound with molecular formula C17H16ClNO and molecular weight 285.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one
Also Known As: 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans-, trans-3-(4-Chlorophenyl)-4-phenyl-2-piperidinone, (3S,4S)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one, 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, cis-, 3alpha-(4-Chlorophenyl)-4beta-phenylpiperidin-2-one
| Molecular Formula | C17H16ClNO |
| Molecular Weight | 285.09204 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.09204 Da |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
| SMILES | C1CNC(=O)[C@@H]([C@H]1C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| InChIKey | GXMMERGBGMKTND-HZPDHXFCSA-N |
The XLogP value of 3.7 indicates that 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- is 107234-92-4.
The molecular formula of 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- is C17H16ClNO.
The molecular weight of 2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans- is 285.09204 g/mol.
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