| SpectraBase Spectrum ID |
74AliOrtmQ0 |
| Name |
1-Benzyl-N-(3-fluorophenyl)-N-([3-(trifluoromethyl)phenyl]methyl)piperidin-4-amine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.203211497 u |
| Formula |
C26H26F4N2 |
| InChI |
InChI=1S/C26H26F4N2/c27-23-10-5-11-25(17-23)32(19-21-8-4-9-22(16-21)26(28,29)30)24-12-14-31(15-13-24)18-20-6-2-1-3-7-20/h1-11,16-17,24H,12-15,18-19H2 |
| InChIKey |
LGBRSEXMYAGTDU-UHFFFAOYSA-N |
| Molecular Weight |
442.502 g/mol |
| SMILES |
C1(N(C2CCN(CC=3C=CC=CC3)CC2)CC=2C=C(C(F)(F)F)C=CC2)=CC(=CC=C1)F |