K8O
Summary
| Name: | 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine |
| Formula: | C14 H17 F2 N3 |
| Formal charge: | 0 |
| Formula weight: | 265.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-[3-[4,4-bis(fluoranyl)piperidin-1-yl]prop-1-ynyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(C#CCN2CCC(F)(F)CC2)nc(N)c1 |
| InChI | InChI | 1.03 | InChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18) |
| InChIKey | InChI | 1.03 | SHKLMOHQZBDLIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(c1)C#CCN2CCC(F)(F)CC2 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(c1)C#CCN2CCC(F)(F)CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCN2CCC(CC2)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCN2CCC(CC2)(F)F |
