Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester
ethyl 1-(2-methylsulfanylethyl)-4-phenylpiperidine-4-carboxylate
Also Known As: AC1L1SVB|TA 59|TA59|BRN 0271844|4-22-00-01017 (Beilstein Handbook Reference)|ISONIPECOTIC ACID, 1-(2-(METHYLTHIO)ETHYL)-4-PHENYL-, ETHYL ESTER|1-(2-(Methylthio)ethyl)-4-phenylisonipecotic acid ethyl ester|ethyl 1-(2-methylsulfanylethyl)-4-phenylpiperidine-4-carboxylate|ethyl 1-[2-(methylsulfanyl)ethyl]-4-phenylpiperidine-4-carboxylate
| Molecular Formula | C17H25NO2S |
|---|---|
| Molecular Weight | 307.1606 g/mol |
| LogP | 2.95 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.1606 |
| Heavy Atoms | 21 |
| Complexity | 441.4 |
Chemical Identifiers
| CAS Number | 108479-11-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCSC)C2=CC=CC=C2 |
Product Overview
Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester (CAS 108479-11-4), with molecular formula C17H25NO2S and molecular weight 307.1606 g/mol. IUPAC: ethyl 1-(2-methylsulfanylethyl)-4-phenylpiperidine-4-carboxylate.
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