| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 17 | Yes |
Popular Name: 3-(3-Phenyl-1H-1,2,4-triazol-5-yl)piperidine hydrochloride 3-(3-Phenyl-1H-1,2,4-triazol-5-y…
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CAS Numbers: , 1263094-24-1 , 1461713-40-5 , 933684-80-1
3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride
3-(3-Phenyl-1H-1,2,4-triazol-5-yl)piperidinehydrochloride
3-(5-phenyl-1H-1,2,4-triazol-3-yl)piperidine
PHENYLTRIAZOLYLPIPERIDINEHYDROCHLORID
piperidine, 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-, hydrochloride
piperidine, 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-, monohydrochloride
| 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) | 1.42 | 5.74 | -40.96 | 3 | 4 | 1 | 58 | 229.307 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 5.64 | -53.22 | 2 | 4 | 0 | 56 | 228.299 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 177 - 179 | Enamine Building Blocks |
| MP | 177...179 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
