A1AJS
Summary
| Name: | 1-(pyridin-2-yl)piperidin-4-one |
| Formula: | C10 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 176.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(pyridin-2-yl)piperidin-4-one |
| OpenEye OEToolkits | 2.0.7 | 1-pyridin-2-ylpiperidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CCN(CC1)c1ncccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2 |
| InChIKey | InChI | 1.06 | CSNJUQMJDHNKHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCN(CC1)c2ccccn2 |
| SMILES | CACTVS | 3.385 | O=C1CCN(CC1)c2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCC(=O)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCC(=O)CC2 |
