NXS
Summary
| Name: | [1-(pyrimidin-2-yl)piperidin-4-yl]methanol |
| Formula: | C10 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 193.246 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1-(pyrimidin-2-yl)piperidin-4-yl]methanol |
| OpenEye OEToolkits | 2.0.6 | (1-pyrimidin-2-ylpiperidin-4-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(c1ncccn1)CCC(CC2)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2 |
| InChIKey | InChI | 1.03 | ZUNGTEUNVMHDIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1CCN(CC1)c2ncccn2 |
| SMILES | CACTVS | 3.385 | OCC1CCN(CC1)c2ncccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)N2CCC(CC2)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)N2CCC(CC2)CO |
