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1-Piperonylpiperazine

CAT: 0804-HY-W012426-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W012426-01Size:1 g
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Description
1-Piperonylpiperazine (MDBP) is metabolized by demethylenation and subsequent methylation to N- (4-hydroxy-3-methoxybenzyl) piperazine followedby partial glucuronidation or sulfation. 1-Piperonylpiperazine can alter the disposition and metabolism of 3,4-methylenedioxymethamphetamine (MDMA) in the brain and in peripheral organs. 1-Piperonylpiperazine can inhibit the MDMA-induced neurotoxicity[1].
CAS Number
32231-06-4
Product Name Alternative
MDBP
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Neurological Disease
Purity
99.56
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C1(CN2CCNCC2)=CC3=C(OCO3)C=C1
Molecular Formula
C12H16N2O2
Molecular Weight
220.27
Precautions
H315, H319, H335
References & Citations
[1]Staack, R. F., & Maurer, H. H. (2004) . New designer drug 1- (3,4-methylenedioxybenzyl) piperazine (MDBP) : studies on its metabolism and toxicological detection in rat urine using gas chromatography/mass spectrometry. Journal of mass spectrometry : JMS, 39 (3), 255–261.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

1-Piperonylpiperazine

coadministration of above cpd attenuates neurotoxicity of 3,4-methylenedioxymethamphetamine; RN given refers to parent cpd

CAS Number32231-06-4
PubChem CID94426
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)piperazine
Molecular FormulaC12H16N2O2
Molecular Weight220.27
XLogP1.1
Topological Polar Surface Area33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity231
SMILES
C1CN(CCN1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2
InChIKey
NBOOZXVYXHATOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperonylpiperazine
CAS: 32231-06-4
CID: 94426
Formula: C12H16N2O2
MW: 220.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.27
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass220.121177757
Monoisotopic Mass220.121177757
Topological Polar Surface Area33.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity231
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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T210652-011-Piperonylpiperazine
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