4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol

C₁₆H₁₇N₃O₃CAS 112559-81-6299.33 g/mol

Open in Covalent MOL file

Nitro Phenol Tertiary amine

Properties

Molecular formula: C₁₆H₁₇N₃O₃
Molar mass: 299.33 g/mol
Exact mass: 299.1270 Da
logP: 2.63Crippen estimate
Polar surface area: 69.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Identifiers

CAS number

112559-81-6

SMILES

O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

InChIKey

BNHYDULILNJFFY-UHFFFAOYSA-N

InChI

InChI=1S/C16H17N3O3/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12H2

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Names and synonyms

1 names

Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-

Work with 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol

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

4-Nitrophenol100-02-770 % similar 1-(4-Nitrophenyl)piperidine6574-15-868 % similar 4-(4-Nitrophenyl)morpholine10389-51-264 % similar 1-(4-Nitrophenyl)piperazine6269-89-264 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-764 % similar 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine74852-61-262 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-158 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-155 % similar

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

Elsewhere

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