A1CVH
Summary
| Name: | N-methyl-1-[3-(piperidin-1-yl)phenyl]methanamine |
| Formula: | C13 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 204.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-methyl-1-[3-(piperidin-1-yl)phenyl]methanamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-methyl-1-(3-piperidin-1-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CNCc1cc(ccc1)N1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H20N2/c1-14-11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h5-7,10,14H,2-4,8-9,11H2,1H3 |
| InChIKey | InChI | 1.06 | WHELHMLNRPDTJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(c1)N2CCCCC2 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(c1)N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNCc1cccc(c1)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNCc1cccc(c1)N2CCCCC2 |
