5NR
Summary
| Name: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine |
| Formula: | C14 H22 N2 |
| Formal charge: | 0 |
| Formula weight: | 218.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2 |
| InChIKey | InChI | 1.03 | PCNDXYHWLSHXMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN1CCC(CC1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | NCCN1CCC(CC1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CC2CCN(CC2)CCN |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CC2CCN(CC2)CCN |
