A1A33
Summary
| Name: | [(3S)-1-(propan-2-yl)piperidin-3-yl]methanol |
| Formula: | C9 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 157.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(3S)-1-(propan-2-yl)piperidin-3-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [(3~{R})-1-propan-2-ylpiperidin-3-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)N1CCCC(CO)C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H19NO/c1-8(2)10-5-3-4-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | LZXLHLSTUPFULX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1CCC[C@@H](CO)C1 |
| SMILES | CACTVS | 3.385 | CC(C)N1CCC[CH](CO)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCC[C@H](C1)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCCC(C1)CO |
