T89
Summary
| Name: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
| OpenEye OEToolkits | 2.0.7 | [4-(hydroxymethyl)piperidin-1-yl]-phenyl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)N1CCC(CO)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2 |
| InChIKey | InChI | 1.06 | RLTIVBMLQJFUOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1CCN(CC1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OCC1CCN(CC1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)N2CCC(CC2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)N2CCC(CC2)CO |
