| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 11 | Yes |
Popular Name: 3-Ethylpiperidine-3-carboxylic acid hydrochloride 3-Ethylpiperidine-3-carboxylic a…
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CAS Numbers: , 116140-23-9
3-ethyl-3-piperidinecarboxylic acid
3-ethyl-3-piperidinecarboxylic acid hydrochloride
3-piperidinecarboxylic acid, 3-ethyl-, hydrochloride
| 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) | 0.34 | 3.93 | -54.87 | 2 | 3 | 0 | 57 | 157.213 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | 2.56 | -44.42 | 1 | 3 | -1 | 52 | 156.205 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
