XIF
Summary
| Name: | PIPERIDINE-3,4-DIOL |
| Synonyms: | XYLOSE-DERIVED ISOFAGOMINE |
| Formula: | C5 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 117.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4R)-piperidine-3,4-diol |
| OpenEye OEToolkits | 1.7.6 | (3R,4R)-piperidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CCNCC1O |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | IZXWMVPZODQBRB-RFZPGFLSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1CCNC[C@H]1O |
| SMILES | CACTVS | 3.370 | O[CH]1CCNC[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CNC[C@H]([C@@H]1O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CNCC(C1O)O |
