1-Methyl-4-(4-nitrophenyl)piperazine

C11H15N3O2CAS 16155-03-6221.26 g/mol

Open in Covalent MOL file
NNN+OO−
NitroTertiary amine

Properties

Molecular formula
C11H15N3O2
Molar mass
221.26 g/mol
Exact mass
221.1164 Da
logP
1.35Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
16155-03-6
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
GZNDUKANJZIZOT-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N3O2/c1-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5H,6-9H2,1H3

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Work with 1-Methyl-4-(4-nitrophenyl)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

1-(4-Nitrophenyl)piperidine6574-15-868 % similar 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-667 % similar 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine74852-61-266 % similar 4-(4-Nitrophenyl)morpholine10389-51-264 % similar 1-(4-Nitrophenyl)piperazine6269-89-264 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-163 % similar 5-(4-Methylpiperazin-1-yl)-2-nitroaniline23491-48-760 % similar N,N-Dimethyl-4-nitroaniline100-23-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N'-Hydroxy-2-(4-morpholinyl)benzenecarboximidamide1021243-96-8

Elsewhere

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