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Piribedil

CAT: 1596-AR-P02133-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02133-06Size:250 Units
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CAS Number
3605-01-4
Synonyms
2-[4- (1,3-Benzodioxol-5-ylmethyl) -1-piperazinyl]pyrimidine; 2- (4-Piperonyl-1-piperazinyl) pyrimidine; 1- (2-Pyrimidyl) -4- (3,4-methylenedioxybenzyl) piperazine; 1- (2-Pyrimidyl) -4-piperonylpiperazine; 4-[3,4- (Methylenedioxy) benzyl]-1- (2-pyrimidinyl) piperazine
Molecular Formula
C16H18N4O2
Molecular Weight
298.35
API Name
Piribedil

Chemical Information

Piribedil

2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine is a N-arylpiperazine.

CAS Number3605-01-4
PubChem CID4850
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
Molecular FormulaC16H18N4O2
Molecular Weight298.34
XLogP1.8
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity356
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4
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
InChIKey
OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piribedil
CAS: 3605-01-4
CID: 4850
Formula: C16H18N4O2
MW: 298.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.34
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass298.14297583
Monoisotopic Mass298.14297583
Topological Polar Surface Area50.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes