chempirical

1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine

C13H16N2O3CAS 70918-00-2248.28 g/mol

Open in Covalent MOL file
OOONHN
AmideEtherSecondary amine

Properties

Molecular formula
C13H16N2O3
Molar mass
248.28 g/mol
Exact mass
248.1161 Da
Melting point
85–87 °C
logP
0.26Crippen estimate
Polar surface area
50.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
70918-00-2
SMILES
O=C(C1COc2ccccc2O1)N1CCNCC1
InChIKey
FLUPDJNTYCSBJZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2

Weigh it out

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

Names and synonyms

8 names
  • Methanone, (2,3-dihydro-1,4-benzodioxin-2-yl)-1-piperazinyl-
  • Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-
  • 1,4-Benzodioxin, piperazine deriv.
  • (2,3-Dihydro-1,4-benzodioxin-2-yl)-1-piperazinylmethanone
  • 1-(1,4-Benzodioxan-2-ylcarbonyl)piperazine
  • (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone
  • 1-(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)piperazine
  • 2,3-Dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone

Work with 1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]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-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride70918-74-092 % similar 1,4-Benzodioxane-2-carboxylic acid34385-93-851 % similar 1,4-Benzodioxane-2-carboxylic acid3663-80-751 % similar Doxazosin74191-85-848 % similar (Piperazin-1-yl)(tetrahydrofuran-2-yl)methanone63074-07-745 % similar 1-(Cyclopropylcarbonyl)piperazine Hydrochloride1021298-67-842 % similar Doxazosin mesylate77883-43-341 % similar Benzoylpiperazine hydrochloride56227-55-541 % similar

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

Elsewhere

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