A11
Summary
| Name: | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE |
| Formula: | C13 H18 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 283.754 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate |
| OpenEye OEToolkits | 1.5.0 | ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC)N2CCC(Nc1nccc(Cl)c1)CC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)N1CCC(CC1)Nc2cc(Cl)ccn2 |
| SMILES | CACTVS | 3.341 | CCOC(=O)N1CCC(CC1)Nc2cc(Cl)ccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | YQEYLCGMINXDBN-UHFFFAOYSA-N |
