4-(1-Piperazinyl)benzonitrile

C₁₁H₁₃N₃CAS 68104-63-2187.25 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
Melting point: 65–66 °C
logP: 0.97Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

68104-63-2

SMILES

N#Cc1ccc(N2CCNCC2)cc1

InChIKey

DJJNYEXRPRQXPD-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)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

5 names

Benzonitrile, 4-(1-piperazinyl)-
1-(4-Cyanophenyl)piperazine
4-Piperazinylbenzenecarbonitrile
N-(4-Cyanophenyl)piperazine
4-Piperazinobenzonitrile

Work with 4-(1-Piperazinyl)benzonitrile

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

Phenylpiperazine92-54-659 % similar 1-(4-Chlorophenyl)piperazine38212-33-855 % similar 1-Phenylpiperazine hydrochloride2210-93-753 % similar 1-(4-Fluorophenyl)piperazine2252-63-353 % similar 1-(4-Methylphenyl)piperazine39593-08-353 % similar 1-(4-Hydroxyphenyl)piperazine56621-48-853 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-150 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-450 % similar

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

Same formula

1-(2-Cyanophenyl)piperazine111373-03-6

Elsewhere

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