A1DOO
Summary
| Name: | 3-{[(3R)-1-methylpiperidin-3-yl]methoxy}pyridine-4-carbonitrile |
| Formula: | C13 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 231.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-{[(3R)-1-methylpiperidin-3-yl]methoxy}pyridine-4-carbonitrile |
| OpenEye OEToolkits | 3.1.0.0 | 3-[[(3~{R})-1-methylpiperidin-3-yl]methoxy]pyridine-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN1CCCC(COc2cnccc2C#N)C1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3O/c1-16-6-2-3-11(9-16)10-17-13-8-15-5-4-12(13)7-14/h4-5,8,11H,2-3,6,9-10H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | ZPLWJZMZQBBSSQ-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@@H](COc2cnccc2C#N)C1 |
| SMILES | CACTVS | 3.385 | CN1CCC[CH](COc2cnccc2C#N)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1CCC[C@H](C1)COc2cnccc2C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1CCCC(C1)COc2cnccc2C#N |
