| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: methyl 2-piperazino-4-(trifluoromethyl)nicotinate methyl 2-piperazino-4-(trifluoro…
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CAS Numbers: 1221791-85-0 , N/A
Methyl 2-(piperazin-1-yl)-4-(trifluoromethyl)nicotinate
methyl-2-(piperazin-1-yl)-4-(trifluoromethyl)nicotinate
methyl2-piperazino-4-(trifluoromethyl)nicotinate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.04 | 5.59 | -45.4 | 2 | 5 | 1 | 59 | 290.265 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 4.29 | -8.87 | 1 | 5 | 0 | 54 | 289.257 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 62 - 63 | KeyOrganics |
| MP | 62-63° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.