WO1
Summary
| Name: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate |
| Formula: | C11 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate |
| OpenEye OEToolkits | 2.0.7 | [(3~{R})-1-methylpiperidin-3-yl] furan-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(C(=O)OC1CCCN(C)C1)oc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | KTNFUDPJGVBBNF-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H](C1)OC(=O)c2occc2 |
| SMILES | CACTVS | 3.385 | CN1CCC[CH](C1)OC(=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC[C@H](C1)OC(=O)c2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCC(C1)OC(=O)c2ccco2 |
