JLD
Summary
| Name: | [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol |
| Formula: | C13 H18 F N O |
| Formal charge: | 0 |
| Formula weight: | 223.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol |
| OpenEye OEToolkits | 2.0.6 | [(3~{S},4~{R})-4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(C1CCN(C)CC1CO)ccc(cc2)F |
| InChI | InChI | 1.03 | InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | CXRHUYYZISIIMT-AAEUAGOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@H]([C@H](CO)C1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CN1CC[CH]([CH](CO)C1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCC(C(C1)CO)c2ccc(cc2)F |
