TL;DR: 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one (CAS 1215699-25-4) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one
Also Known As: ZERO/005503, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one oxalate, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dimethyl-piperidin-4-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one;oxalic acid
| Molecular Formula | C17H25NO3 |
| Molecular Weight | 291.18344 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.18344 Da |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
| SMILES | CC1C(N(CCC1=O)CCC2=CC(=C(C=C2)OC)OC)C |
| InChIKey | PTKVNRIUQDVVDK-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one. With a topological polar surface area (TPSA) of 38.8 Ų, 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one is 1215699-25-4.
The molecular formula of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one is C17H25NO3.
The molecular weight of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-one is 291.18344 g/mol.
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