1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one

C₁₂H₁₇N₃OCAS 92394-00-8219.29 g/mol

Open in Covalent MOL file

Amide Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₇N₃O
Molar mass: 219.29 g/mol
Exact mass: 219.1372 Da
logP: 0.94Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

92394-00-8

SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)N

InChIKey

AFVUJJNEILZYJQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9,13H2,1H3

Weigh it out

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Names and synonyms

1 names

1-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanone

Work with 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one

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

1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone67914-60-767 % similar 4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline1021426-42-558 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-957 % similar N-(4-Aminophenyl)-N-methylacetamide119-63-156 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-454 % similar 1-Acetyl-4-(3-hydroxyphenyl)piperazine67915-02-052 % similar 4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-751 % similar 4-(Piperidin-1-yl)aniline2359-60-650 % similar

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

Elsewhere

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