7VY
Summary
| Name: | (3R)-3-[(3-methoxyphenyl)methyl]piperidine |
| Formula: | C13 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 205.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-[(3-methoxyphenyl)methyl]piperidine |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-[(3-methoxyphenyl)methyl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1OC)CC2CNCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | GQKSLDMVANTJRX-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(C[C@H]2CCCNC2)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(C[CH]2CCCNC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)C[C@H]2CCCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)CC2CCCNC2 |
