WGV
Summary
| Name: | 1-(3-phenylprop-2-yn-1-yl)piperidine |
| Formula: | C14 H17 N |
| Formal charge: | 0 |
| Formula weight: | 199.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-phenylprop-2-yn-1-yl)piperidine |
| OpenEye OEToolkits | 2.0.7 | 1-(3-phenylprop-2-ynyl)piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1C#CCN2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2 |
| InChIKey | InChI | 1.03 | PJMAQEATSLLDCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCN(CC1)CC#Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | C1CCN(CC1)CC#Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C#CCN2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C#CCN2CCCCC2 |
