| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 14 | Yes |
Popular Name: 2-[4-(3-Pyrrolidinyl)-1-piperazinyl]-1-ethanoldihydrochloride 2-[4-(3-Pyrrolidinyl)-1-piperazi…
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CAS Numbers: 1220020-39-2 , N/A , [1220020-39-2]
2-(4-(Pyrrolidin-3-yl)piperazin-1-yl)ethanol dihydrochloride
2-[4-(3-Pyrrolidinyl)-1-piperazinyl]-1-ethanol dihydrochloride
None
| 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) | -0.49 | -1.78 | -32.05 | 3 | 4 | 1 | 40 | 200.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | -2.56 | -42.4 | 3 | 4 | 1 | 43 | 200.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | -3.95 | -4.12 | 2 | 4 | 0 | 39 | 199.298 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | -0.21 | -84.95 | 4 | 4 | 2 | 45 | 201.314 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.49 | -0.35 | -108.13 | 4 | 4 | 2 | 45 | 201.314 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
