5TT
Summary
| Name: | ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine |
| Formula: | C13 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 204.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3 |
| InChIKey | InChI | 1.03 | ABHBNGLDUNAXSR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCCC2 |
| SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCCCC2 |
