4-(5-Nitropyridin-2-yl)piperazine

C₉H₁₂N₄O₂CAS 82205-58-1208.22 g/mol

Open in Covalent MOL file

Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₁₂N₄O₂
Molar mass: 208.22 g/mol
Exact mass: 208.0960 Da
Melting point: 84–85 °C
logP: 0.40Crippen estimate
Polar surface area: 71.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

82205-58-1

SMILES

O=[N+]([O-])c1ccc(N2CCNCC2)nc1

InChIKey

YEPRCPIKTUGVHG-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N4O2/c14-13(15)8-1-2-9(11-7-8)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

N-(5-Nitropyridin-2-yl)piperazine
Piperazine, 1-(5-nitro-2-pyridinyl)-
Piperazine, 1-(5-nitro-2-pyridyl)-
1-(5-Nitro-2-pyridinyl)piperazine
5-Nitro-2-piperazinylpyridine
1-(5-Nitropyridin-2-yl)piperazine

Work with 4-(5-Nitropyridin-2-yl)piperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Morpholino-5-nitropyridine26820-62-272 % similar 1-(4-Nitrophenyl)piperazine6269-89-262 % similar 1-(2-Chloro-4-nitrophenyl)piperazine114878-60-352 % similar 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-348 % similar 1-(2-Nitrophenyl)piperazine59084-06-948 % similar 2-Chloro-5-nitropyridine4548-45-248 % similar 2-Ethoxy-5-nitropyridine31594-45-347 % similar 6-Methoxy-3-nitropyridine5446-92-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,7-Dihydro-3-methyl-7-propyl-1H-purine-2,6-dione55242-64-3 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione832-66-6

Elsewhere

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