| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2012 | 12 | Yes |
Popular Name: Ethyl 2-(3-piperidinylidene)acetate Ethyl 2-(3-piperidinylidene)acetate
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CAS Numbers: 1358679-89-6 , 957472-01-4 , 957752-43-1 , N/A , [1358679-89-6]
(E)-Ethyl 2-(piperidin-3-ylidene)acetate
(Z)-ethyl 2-(piperidin-3-ylidene)acetate hydrochloride
Acetic acid, 2-(3-piperidinylidene)-, ethyl ester
Ethyl 2-(3-piperidinylidene)acetate HCl
Ethyl 2-(3-piperidinylidene)acetate hydrochloride
Ethyl 2-(piperidin-3-ylidene)acetate
ethyl2-(3-piperidinylidene)acetate
| 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) | 0.84 | 4.44 | -45.59 | 2 | 3 | 1 | 43 | 170.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 10.59 | -46.53 | 1 | 5 | 1 | 46 | 370.517 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 3.06 | -4.32 | 1 | 3 | 0 | 38 | 169.224 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.