In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 11 | Yes |
Popular Name: Methyl 1-methylpiperidine-3-carboxylate Methyl 1-methylpiperidine-3-carb…
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CAS Numbers: 1690-72-8 , [1690-72-8]
1-METHYL-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
3-Piperidinecarboxylic acid, 1-methyl-, methyl ester
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) | 0.98 | 5.33 | -40.37 | 1 | 3 | 1 | 31 | 158.221 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 2.91 | -4.18 | 0 | 3 | 0 | 30 | 157.213 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |