ZA9
Summary
| Name: | 4-[(3S)-piperidin-3-yl]-1H-indole |
| Formula: | C13 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 200.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(3S)-piperidin-3-yl]-1H-indole |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{S})-piperidin-3-yl]-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c[NH]c2cccc(c12)C1CCCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | JWMGZQMVMZBMFM-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNC[C@@H](C1)c2cccc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C1CNC[CH](C1)c2cccc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)[C@@H]3CCCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)C3CCCNC3 |
