| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 16 | Yes |
Popular Name: 3-[(4-Aminopiperidin-1-yl)methyl]benzonitrile dihydrochloride 3-[(4-Aminopiperidin-1-yl)methyl…
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CAS Number: 1286273-82-2
| 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) | 0.74 | 3.44 | -47.13 | 3 | 3 | 1 | 55 | 216.308 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 5.49 | -45.9 | 3 | 3 | 1 | 54 | 216.308 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 5.8 | -118.14 | 4 | 3 | 2 | 56 | 217.316 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
