1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine

C₁₇H₁₉N₃O₃CAS 74852-61-2313.36 g/mol

Open in Covalent MOL file

Nitro Tertiary Amine

Properties

Molecular formula: C₁₇H₁₉N₃O₃
Molar mass: 313.36 g/mol
Exact mass: 313.1426 Da
Melting point: 189–190 °C
logP: 2.93Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Identifiers

CAS number

74852-61-2

SMILES

COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

InChIKey

AVCKOFMRPAJEPN-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N3O3/c1-23-17-8-6-15(7-9-17)19-12-10-18(11-13-19)14-2-4-16(5-3-14)20(21)22/h2-9H,10-13H2,1H3

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Names and synonyms

1 names

Piperazine, 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-

Work with 1-(4-Methoxyphenyl)-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

Elsewhere

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