chempirical

1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate

C14H20N4O4CAS 571189-16-7308.34 g/mol

Open in Covalent MOL file
OONNN+OO−N
CarbamateNitroTertiary amine

Properties

Molecular formula
C14H20N4O4
Molar mass
308.34 g/mol
Exact mass
308.1485 Da
logP
2.05Crippen estimate
Polar surface area
88.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
571189-16-7
SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIKey
SUWKOEMQNOBJEQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3

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Names and synonyms

6 names
  • 1-Piperazinecarboxylic acid, 4-(6-nitro-3-pyridinyl)-, 1,1-dimethylethyl ester
  • 4-(6-Nitropyridin-3-yl)piperazine-1-carboxylic acid tert-butyl ester
  • 4-(6-Nitro-3-pyridinyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
  • tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
  • tert-Butyl 4-(6-nitro-3-pyridyl)piperazine-1-carboxylate
  • 1-Boc-4-(6-nitro-3-pyridyl)piperazine

Work with 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate

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

1-(6-Nitropyridin-3-yl)piperazine775288-71-657 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-955 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-355 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-452 % similar 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester470478-90-150 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-550 % similar 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester496786-98-247 % similar 1-Boc-4-(2-carboxyphenyl)piperazine444582-90-543 % similar

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

Same formula

Benzyloxycarbonyl-L-arginine1234-35-1 N-Benzyloxycarbonyl-D-arginine6382-93-0

Elsewhere

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