In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2009 | 16 | Yes |
Popular Name: Methyl 2-(piperazin-1-yl)nicotinate Methyl 2-(piperazin-1-yl)nicotinate
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CAS Numbers: 104813-92-5 , 1185317-00-3 , N/A
2-(1-Piperazinyl)-3-pyridinecarboxylic acid methyl ester
2-Piperazin-1-yl-nicotinic acid methyl ester dihydrochloride
2-Piperazin-1-yl-nicotinic acid methyl ester hydrochloride
2-Piperazin-1-yl-nicotinicacid methyl ester hydrochloride
2-Piperazin-1-yl-nicotinicacidmethylester 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) | 0.22 | 4.26 | -41.52 | 2 | 5 | 1 | 59 | 222.268 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 2.86 | -9.01 | 1 | 5 | 0 | 54 | 221.26 | 3 | ↓ |