ZXB
Summary
| Name: | (2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol |
| Formula: | C12 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 223.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S,5R)-2-(phenylmethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(NCC(O)C1O)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CN[C@@H](Cc2ccccc2)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CN[CH](Cc2ccccc2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC2C(C(C(CN2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO3/c14-10-7-13-9(11(15)12(10)16)6-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10+,11+,12-/m0/s1 |
| InChIKey | InChI | 1.03 | NDQBRGWFAQLRFZ-QCNOEVLYSA-N |
