1-(2-Cyanophenyl)piperazine

C₁₁H₁₃N₃CAS 111373-03-6187.25 g/mol

Open in Covalent MOL file

Nitrile Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃N₃
Molar mass: 187.25 g/mol
Exact mass: 187.1109 Da
logP: 0.97Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

111373-03-6

SMILES

C1CN(CCN1)C2=CC=CC=C2C#N

InChIKey

FRICBZWJFIRJOB-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-8H2

Weigh it out

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

Names and synonyms

1 names

N-(2-Cyanophenyl)piperazine

Work with 1-(2-Cyanophenyl)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

2-(1-Piperidinyl)benzonitrile72752-52-468 % similar 1-(2-Bromophenyl)piperazine1011-13-855 % similar 1-(2-Fluorophenyl)piperazine1011-15-053 % similar 2-(1-Piperazinyl)phenol1011-17-253 % similar 1-(2-Chlorophenyl)piperazine39512-50-053 % similar 1-(2-Methylphenyl)piperazine39512-51-153 % similar 1-(1-Naphthyl)piperazine57536-86-451 % similar 1-(2-Ethylphenyl)piperazine40224-10-050 % similar

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

Same formula

4-(1-Piperazinyl)benzonitrile68104-63-2

Elsewhere

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