| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 14 | Yes |
Popular Name: 3-methyl-1-(pyridin-3-ylmethyl)piperazine 3-methyl-1-(pyridin-3-ylmethyl)p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1341992-37-7 , 1803571-65-4
3-methyl-1-(pyridin-3-ylmethyl)piperazine 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) | 0.48 | 2.44 | -38.08 | 2 | 3 | 1 | 33 | 192.286 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 1.15 | -4.02 | 1 | 3 | 0 | 28 | 191.278 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 2.9 | -84.48 | 3 | 3 | 2 | 34 | 193.294 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
