TL;DR: (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine (CAS 112137-04-9) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine
Also Known As: Femoxetine, (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine, Cyclohexylamin,Salz des Phosphorsaeure-monophenylesters, (3S,4R)-3-(4-Methoxy-phenoxymethyl)-1-methyl-4-phenyl-piperidine, (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine
| Molecular Formula | C20H25NO2 |
| Molecular Weight | 311.18854 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.18854 Da |
| Heavy Atoms | 23 |
| Complexity | 335.0 |
| SMILES | CN1CC[C@H]([C@@H](C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 |
| InChIKey | OJSFTALXCYKKFQ-PXNSSMCTSA-N |
The XLogP value of 4.0 indicates that (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine has 0 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 (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine is 112137-04-9.
The molecular formula of (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine is C20H25NO2.
The molecular weight of (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine is 311.18854 g/mol.
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