chempirical

1-(4-Acetylphenyl)piperazine

C12H16N2OCAS 51639-48-6204.27 g/mol

Open in Covalent MOL file
ONNH
KetoneSecondary amineTertiary amine

Properties

Molecular formula
C12H16N2O
Molar mass
204.27 g/mol
Exact mass
204.1263 Da
Melting point
95 °C
logP
1.30Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
51639-48-6
SMILES
CC(=O)c1ccc(N2CCNCC2)cc1
InChIKey
KPXVKKBJROCIJB-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-[4-(1-piperazinyl)phenyl]-
  • 1-[4-(1-Piperazinyl)phenyl]ethanone
  • N-(4-Acetylphenyl)piperazine
  • 1-[4-(1-Piperazinyl)phenyl]-1-ethanone
  • 4′-Piperazinoacetophenone
  • 1-(p-Acetylphenyl)piperazine
  • 4-(4-Acetylphenyl)piperazine
  • 1-(4-Piperazin-1-ylphenyl)ethanone
  • NSC 109890
  • 4-(Piperazin-1-yl)acetophenone

Work with 1-(4-Acetylphenyl)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

4′-Piperidinoacetophenone10342-85-570 % similar 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-066 % similar 4′-Morpholinoacetophenone39910-98-066 % similar 1-[4-(Dimethylamino)phenyl]ethanone2124-31-453 % similar 1-(4-Methylphenyl)piperazine39593-08-353 % similar 1-(4-Chlorophenyl)piperazine38212-33-850 % similar 1-(4-Methoxyphenyl)piperazine38212-30-549 % similar 1-(4-Fluorophenyl)piperazine2252-63-349 % similar

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

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidinylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2

Elsewhere

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