A1CW5
Summary
| Name: | 1-[(6-chloropyridin-3-yl)methyl]piperidin-2-one |
| Formula: | C11 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.687 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(6-chloropyridin-3-yl)methyl]piperidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(6-chloranylpyridin-3-yl)methyl]piperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(cn1)CN1CCCCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C11H13ClN2O/c12-10-5-4-9(7-13-10)8-14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,8H2 |
| InChIKey | InChI | 1.06 | PTRUQENBDHGVDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2CCCCC2=O)cn1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2CCCCC2=O)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1CN2CCCCC2=O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1CN2CCCCC2=O)Cl |
