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

C₁₁H₁₅N₃O₂CAS 16155-03-6221.26 g/mol

Open in Covalent MOL file

Nitro Tertiary 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 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

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 1-(4-Nitrophenyl)piperazine6269-89-264 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-163 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-155 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-152 % similar 1,4-Dinitrobenzene100-25-450 % 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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