| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 13 | Yes |
Popular Name: MFCD13561723 MFCD13561723
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1219960-38-9 , N/A
METHYLPIPERIDINYLMETHYLBUTANAMINEDIHYDROCHLORID
N-Methyl-N-(2-piperidinylmethyl)-1-butanamine dihydrochloride
N-Methyl-N-(2-piperidinylmethyl)-1-butanaminedihydrochloride
N-Methyl-N-(piperidin-2-ylmethyl)butan-1-amine 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) | 2.46 | 7.11 | -114.45 | 3 | 2 | 2 | 21 | 186.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 5.12 | -32.41 | 2 | 2 | 1 | 20 | 185.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 6 | -30.7 | 2 | 2 | 1 | 16 | 185.335 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
