A1EYD
Summary
| Name: | 3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline |
| Formula: | C13 H19 N3 |
| Formal charge: | 0 |
| Formula weight: | 217.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H19N3/c1-2-4-12-10-15-13(9-11(12)3-1)16-7-5-14-6-8-16/h9-10,14H,1-8H2 |
| InChIKey | InChI | 1.06 | IPQHEOUVJXLYMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCc2cc(ncc2C1)N3CCNCC3 |
| SMILES | CACTVS | 3.385 | C1CCc2cc(ncc2C1)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cnc1N3CCNCC3)CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cnc1N3CCNCC3)CCCC2 |
