A1BMR
Summary
| Name: | (2S,3R)-1-benzyl-2-methylpiperidin-3-ol |
| Formula: | C13 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 205.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S,3R)-1-benzyl-2-methylpiperidin-3-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},3~{R})-2-methyl-1-(phenylmethyl)piperidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1C(O)CCCN1Cc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3 |
| InChIKey | InChI | 1.06 | ZFJGRVQFTNBLRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H](O)CCCN1Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](O)CCCN1Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1[C@@H](CCCN1Cc2ccccc2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1C(CCCN1Cc2ccccc2)O |
