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Piribedil 5-Hydroxy

CAT: 1596-AR-P02137-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02137-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50602-51-2
Synonyms
2- (4- (benzo[d][1,3]dioxol-5-ylmethyl) piperazin-1-yl) pyrimidin-5-ol; 1- (3,4-Methylenedioxybenzyl) -4- (5-hydroxy-2-pyrimidinyl) piperazine; 1- (3,4-Methylenedioxybenzyl) -4- (2-pyrimidyl-5-hydroxy) piperazine; 2-[4- (1,3-Benzodioxol-5-ylmethyl) -1-piperazinyl]-5-pyrimidinol
Molecular Formula
C16H18N4O3
Molecular Weight
314.35
API Name
Piribedil

Chemical Information

1-(3,4-Methylenedioxybenzyl)-4-(5-hydroxy-2-pyrimidyl)piperazine
CAS Number50602-51-2
PubChem CID10470884
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-5-ol
Molecular FormulaC16H18N4O3
Molecular Weight314.34
XLogP1.4
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity384
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=N4)O
InChI
InChI=1S/C16H18N4O3/c21-13-8-17-16(18-9-13)20-5-3-19(4-6-20)10-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-9,21H,3-6,10-11H2
InChIKey
UVNCXSQTCMRENC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Methylenedioxybenzyl)-4-(5-hydroxy-2-pyrimidyl)piperazine
CAS: 50602-51-2
CID: 10470884
Formula: C16H18N4O3
MW: 314.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.34
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass314.13789045
Monoisotopic Mass314.13789045
Topological Polar Surface Area71 Ų
Heavy Atom Count23
Formal Charge0
Complexity384
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

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