chempirical

Piribedil

C16H18N4O2CAS 3605-01-4298.35 g/mol

Open in Covalent MOL file
NNNOON
AcetalEtherTertiary amine

Properties

Molecular formula
C16H18N4O2
Molar mass
298.35 g/mol
Exact mass
298.1430 Da
Melting point
98 °C
logP
1.53Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
3605-01-4
SMILES
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1
InChIKey
OQDPVLVUJFGPGQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2

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

Names and synonyms

12 names
  • Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-
  • Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-
  • 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine
  • 1-(2-Pyrimidyl)-4-piperonylpiperazine
  • 4-[3,4-(Methylenedioxy)benzyl]-1-(2-pyrimidinyl)piperazine
  • ET 495
  • Trivastal
  • 1-(2-Pyrimidyl)-4-(3,4-methylenedioxybenzyl)piperazine
  • Trivastan
  • EU 4200
  • Pronoran
  • 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine

Work with Piribedil

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-Piperonylpiperazine32231-06-456 % similar Fipexide34161-24-543 % similar 1,3-Benzodioxole-5-ethanamine1484-85-141 % similar Piperonyl chloride20850-43-540 % similar 1,3-Benzodioxole-5-methanamine2620-50-040 % similar Piperonyl alcohol495-76-140 % similar 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-138 % similar Pyrimidinylpiperazine20980-22-737 % similar

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

Elsewhere

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