5GJ
Summary
| Name: | [(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone |
| Formula: | C15 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 245.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone |
| OpenEye OEToolkits | 1.9.2 | [(3R)-3-oxidanylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1C2(CC2)C(=O)N3CCCC(C3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H19NO2/c17-13-7-4-10-16(11-13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | NMEGOWUYSINAGN-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCN(C1)C(=O)C2(CC2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN(C1)C(=O)C2(CC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2(CC2)C(=O)N3CCCC(C3)O |
