chempirical

1-Acetyl-4-(3-hydroxyphenyl)piperazine

C12H16N2O2CAS 67915-02-0220.27 g/mol

Open in Covalent MOL file
ONNOH
AmidePhenolTertiary amine

Properties

Molecular formula
C12H16N2O2
Molar mass
220.27 g/mol
Exact mass
220.1212 Da
logP
1.06Crippen estimate
Polar surface area
43.8 Ų
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
67915-02-0
SMILES
CC(=O)N1CCN(c2cccc(O)c2)CC1
InChIKey
IQFHOABEFGNIQX-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O2/c1-10(15)13-5-7-14(8-6-13)11-3-2-4-12(16)9-11/h2-4,9,16H,5-8H2,1H3

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Names and synonyms

4 names
  • 1-[4-(3-Hydroxyphenyl)-1-piperazinyl]ethanone
  • Ethanone, 1-[4-(3-hydroxyphenyl)-1-piperazinyl]-
  • Piperazine, 1-acetyl-4-(3-hydroxyphenyl)-
  • 3-[4-(Acetyl)piperazin-1-yl]phenol

Work with 1-Acetyl-4-(3-hydroxyphenyl)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

1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone67914-60-768 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-256 % similar N,N-Dibutyl-3-aminophenol43141-69-154 % similar 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one92394-00-852 % similar 3-(Diethylamino)phenol91-68-951 % similar 4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline1021426-42-550 % similar 3-(Dimethylamino)phenol99-07-044 % similar 3-Hydroxyacetophenone121-71-140 % similar

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

Same formula

(S)-1-Cbz-3-aminopyrrolidine122536-72-5 Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-5 (S)-3-N-Cbz-aminopyrrolidine176970-12-0 Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-6 Benzyl piperazine-1-carboxylate31166-44-6 1-Piperonylpiperazine32231-06-4

Elsewhere

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