| SpectraBase Spectrum ID |
D2KuCdBPgww |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H29ClN2OS |
| InChI |
InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3/t17-,19-/m1/s1 |
| InChIKey |
VXDYZTDYUKVXNJ-IEBWSBKVSA-N |
| Ionization Type |
EI |
| Molecular Weight |
380.978 g/mol |
| Optical Rotation |
[a]D25 = +72.4 (c = 0.40, CHCl3) |
| SMILES |
C(CSC[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])(N1CCCCC1)=O |
| SPLASH |
splash10-0uxr-0690000000-e40c0fa025e9162977f6 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.38 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845215 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone](/api/spectrum/D2KuCdBPgww/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone")
