R9V
Summary
| Name: | (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol |
| Formula: | C14 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 217.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol |
| OpenEye OEToolkits | 2.0.6 | (1~{R},5~{S})-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1CN3C2CC(CC3CC2)O |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+ |
| InChIKey | InChI | 1.03 | HCBGIBWAPOFRKI-WDNDVIMCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH]2CC[CH](C1)N2Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2C3CCC2CC(C3)O |
