TL;DR: 2-Piperidinone, 4-(4-methylphenyl)-3-phenyl-, trans- (CAS 107234-98-0) is a chemical compound with molecular formula C18H19NO and molecular weight 265.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
Also Known As: 2-Piperidinone, 4-(4-methylphenyl)-3-phenyl-, trans-, trans-4-(4-Methylphenyl)-3-phenyl-2-piperidinone, (3S,4S)-4-(4-methylphenyl)-3-phenylpiperidin-2-one, 2-Piperidinone, 4-(4-methylphenyl)-3-phenyl-, cis-, 3alpha-Phenyl-4beta-(4-methylphenyl)piperidin-2-one
| Molecular Formula | C18H19NO |
| Molecular Weight | 265.14667 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.14667 Da |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
| SMILES | CC1=CC=C(C=C1)[C@H]2CCNC(=O)[C@@H]2C3=CC=CC=C3 |
| InChIKey | DGDVQXNYCIAMMV-IAGOWNOFSA-N |
The XLogP value of 3.4 indicates that 2-Piperidinone, 4-(4-methylphenyl)-3-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, 4-(4-methylphenyl)-3-phenyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Piperidinone, 4-(4-methylphenyl)-3-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, 4-(4-methylphenyl)-3-phenyl-, trans- is 107234-98-0.
The molecular formula of 2-Piperidinone, 4-(4-methylphenyl)-3-phenyl-, trans- is C18H19NO.
The molecular weight of 2-Piperidinone, 4-(4-methylphenyl)-3-phenyl-, trans- is 265.14667 g/mol.
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