| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 12 | Yes |
Popular Name: 2-Amino-1-(3-methyl-1-piperidinyl)-1-propanonehydrochloride 2-Amino-1-(3-methyl-1-piperidiny…
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CAS Numbers: 1236261-96-3 , N/A , [1236261-96-3]
2-Amino-1-(3-methyl-1-piperidinyl)-1-propanone hydrochloride
2-Amino-1-(3-methylpiperidin-1-yl)propan-1-one hydrochloride
| 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) | 0.02 | 2.15 | -43.78 | 3 | 3 | 1 | 48 | 171.264 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.02 | 1.82 | -8.92 | 2 | 3 | 0 | 46 | 170.256 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.