In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 12 | Yes |
Popular Name: Ethyl 2-(3-piperidinylidene)acetate Ethyl 2-(3-piperidinylidene)acetate
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CAS Numbers: 1358679-89-6 , 957752-44-2 , N/A
(Z)-Ethyl 2-(piperidin-3-ylidene)acetate
(Z)-ethyl 2-(piperidin-3-ylidene)acetate hydrochloride
Acetic acid, 2-(3-piperidinylidene)-, ethyl ester
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) | 0.85 | 4.39 | -36.21 | 2 | 3 | 1 | 43 | 170.232 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 3.03 | -4.22 | 1 | 3 | 0 | 38 | 169.224 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.