A1BS8
Summary
| Name: | 1-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methoxypyridin-3-yl)ethan-1-one |
| Formula: | C15 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 278.347 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methoxypyridin-3-yl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(3~{R})-3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methoxypyridin-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cnccc1OC)N1CCCC(CCO)C1 |
| InChI | InChI | 1.06 | InChI=1S/C15H22N2O3/c1-20-14-4-6-16-10-13(14)9-15(19)17-7-2-3-12(11-17)5-8-18/h4,6,10,12,18H,2-3,5,7-9,11H2,1H3/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | ZXLDVMYOYPVIJI-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccncc1CC(=O)N2CCC[C@H](CCO)C2 |
| SMILES | CACTVS | 3.385 | COc1ccncc1CC(=O)N2CCC[CH](CCO)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccncc1CC(=O)N2CCC[C@@H](C2)CCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccncc1CC(=O)N2CCCC(C2)CCO |
