W2I
Summary
| Name: | 1-[(3-aminophenyl)methyl]piperidin-4-ol |
| Formula: | C12 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 206.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3-aminophenyl)methyl]piperidin-4-ol |
| OpenEye OEToolkits | 2.0.7 | 1-[(3-aminophenyl)methyl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cc(CN2CCC(O)CC2)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2 |
| InChIKey | InChI | 1.06 | URVMBDCFIVHKBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(CN2CCC(O)CC2)c1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(CN2CCC(O)CC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)CN2CCC(CC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)CN2CCC(CC2)O |
