JMN
Summary
| Name: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol |
| Formula: | C16 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 259.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21NO2/c1-4-8-17-9-7-16(15(18)11-17)19-14-6-5-12(2)13(3)10-14/h1,5-6,10,15-16,18H,7-9,11H2,2-3H3/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | DUHWBGRBPQCVNS-HOTGVXAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O[C@H]2CCN(CC#C)C[C@@H]2O)cc1C |
| SMILES | CACTVS | 3.385 | Cc1ccc(O[CH]2CCN(CC#C)C[CH]2O)cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)OC2CCN(CC2O)CC#C |
