QME
Summary
| Name: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole |
| Formula: | C13 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 200.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-2,5-6,9,12,14-15H,3-4,7-8H2/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | BNKHEDZUOBHGMW-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC[C@@H](NC1)c2[nH]c3ccccc3c2 |
| SMILES | CACTVS | 3.385 | C1CC[CH](NC1)c2[nH]c3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc([nH]2)C3CCCCN3 |
