| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 13 | Yes |
Popular Name: MFCD13561489 MFCD13561489
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1219979-44-8 , N/A
METHYLPIPERIDINYLMETHYLBUTANAMINEDIHYDROCHLORID
N-Methyl-N-(3-piperidinylmethyl)-1-butanamine dihydrochloride
N-Methyl-N-(3-piperidinylmethyl)-1-butanaminedihydrochloride
N-Methyl-N-(piperidin-3-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) | 1.99 | 6.72 | -97.33 | 3 | 2 | 2 | 21 | 186.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 5.3 | -34.3 | 2 | 2 | 1 | 16 | 185.335 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.62 | -38.69 | 2 | 2 | 1 | 20 | 185.335 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.