| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2010 | 15 | Yes |
Popular Name: MFCD21606143 MFCD21606143
Find On: PubMed — Wikipedia — Google
CAS Number: 1361116-52-0
2-[4-(2-Methoxy-ethyl)-4H-[1,2,4]triazol-3-yl]-piperidine
2-[4-(2-Methoxy-ethyl)-4H-[1,2,4]triazol-3-yl]-piperidine dihydrochloride
| 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) | 0.20 | 4.98 | -39.81 | 2 | 5 | 1 | 57 | 211.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 3.76 | -8.57 | 1 | 5 | 0 | 52 | 210.281 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.