In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 16 | Yes |
Popular Name: (1-Methyl-piperidin-4-yl)-(2-morpholin-4-yl-ethyl)-amine (1-Methyl-piperidin-4-yl)-(2-mor…
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CAS Number: 416865-22-0
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) | 0.39 | 2.95 | -105 | 3 | 4 | 2 | 34 | 229.368 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 4.04 | -84.64 | 3 | 4 | 2 | 30 | 229.368 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 0.57 | -40.95 | 2 | 4 | 1 | 32 | 228.36 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.39 | 5.22 | -198.71 | 4 | 4 | 3 | 35 | 230.376 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |