| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 14 | Yes |
Popular Name: 2-Amino-3-methyl-1-(3-methyl-1-piperidinyl)-1-butanone hydrochloride 2-Amino-3-methyl-1-(3-methyl-1-p…
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CAS Numbers: 1236254-84-4 , N/A , [1236254-84-4]
2-amino-3-methyl-1-(3-methyl-1-piperidinyl)-1-butanonehydrochloride
2-Amino-3-methyl-1-(3-methylpiperidin-1-yl)butan-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) | 0.80 | 3.4 | -43.52 | 3 | 3 | 1 | 48 | 199.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.06 | -7.32 | 2 | 3 | 0 | 46 | 198.31 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
