![1-(4-Pyridinylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazine](/api/spectrum/BiYYYx2zNJU/structure.png?h=300&w=458 "1-(4-Pyridinylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazine")
| SpectraBase Compound ID | CMcQD2Qil2P |
|---|---|
| InChI | InChI=1S/C18H20F3N3/c19-18(20,21)17-4-2-1-3-16(17)14-24-11-9-23(10-12-24)13-15-5-7-22-8-6-15/h1-8H,9-14H2 |
| InChIKey | BKBHILWTSQUNSO-UHFFFAOYSA-N |
| Mol Weight | 335.37 g/mol |
| Molecular Formula | C18H20F3N3 |
| Exact Mass | 335.160932 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiYYYx2zNJU |
|---|---|
| Name | 1-(4-Pyridinylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.160932145 u |
| Formula | C18H20F3N3 |
| InChI | InChI=1S/C18H20F3N3/c19-18(20,21)17-4-2-1-3-16(17)14-24-11-9-23(10-12-24)13-15-5-7-22-8-6-15/h1-8H,9-14H2 |
| InChIKey | BKBHILWTSQUNSO-UHFFFAOYSA-N |
| Molecular Weight | 335.374 g/mol |
| SMILES | C1N(CCN(C1)CC1=C(C=CC=C1)C(F)(F)F)CC=1C=CN=CC1 |