PF7
Summary
| Name: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid |
| Formula: | C16 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 270.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2 |
| SMILES | CACTVS | 3.341 | OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20) |
| InChIKey | InChI | 1.03 | QUAGUFNCKDDJFZ-UHFFFAOYSA-N |
