| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 13 | Yes |
Popular Name: MFCD13561544 MFCD13561544
Find On: PubMed — Wikipedia — Google
CAS Number: 1220030-30-7
3-(2-Methyl-1-piperidinyl)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) | 1.41 | 3.44 | -37.39 | 2 | 2 | 1 | 20 | 183.319 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 2.14 | -0.83 | 1 | 2 | 0 | 15 | 182.311 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 4.21 | -27.56 | 2 | 2 | 1 | 16 | 183.319 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 5.55 | -102.18 | 3 | 2 | 2 | 21 | 184.327 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
