TL;DR: Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)- (CAS 57554-04-8) is a chemical compound with molecular formula C16H25NO5S and molecular weight 343.14536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3,4,5-trimethoxyphenyl)sulfonylethyl]piperidine
Also Known As: Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)-, 1-(2-(3,4,5-Trimethoxyphenyl)sulfonylethyl)piperidine, 1-[2-(3,4,5-trimethoxyphenyl)sulfonylethyl]piperidine, 5-20-02-00150 (Beilstein Handbook Reference), 3,4,5-Trimethoxy-phenylsulfonyl-aethyl-piperidin
| Molecular Formula | C16H25NO5S |
| Molecular Weight | 343.14536 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.14536 Da |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)S(=O)(=O)CCN2CCCCC2 |
| InChIKey | BYJLFUFCSNYZLF-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)-. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)-. Following Lipinski's Rule of Five, Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)- is 57554-04-8.
The molecular formula of Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)- is C16H25NO5S.
The molecular weight of Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)- is 343.14536 g/mol.
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