1-Piperonylpiperazine - CAS 32231-06-4

Catalog:	BB021234
Product Name:	1-Piperonylpiperazine
CAS:	32231-06-4
Synonyms:	1-(1,3-benzodioxol-5-ylmethyl)piperazine

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Computed Properties

IUPAC Name:	1-(1,3-benzodioxol-5-ylmethyl)piperazine
Description:	1-Piperonylpiperazine (CAS# 32231-06-4) is a compound useful in organic synthesis.
Molecular Weight:	220.27
Molecular Formula:	C12H16N2O2
Canonical 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
InChI Key:	NBOOZXVYXHATOW-UHFFFAOYSA-N
Boiling Point:	147-149 ℃ (2 mmHg)
Purity:	97+ %
Density:	1.203 g/cm³
Appearance:	White to yellow or yellow-brownish cryst. solid
MDL:	MFCD00005834
LogP:	1.08720

Publication Number	Title	Priority Date
CN-113264903-A	Phenothiazine compound and preparation method and application thereof	20210527
CN-113024611-A	Novel N-heterocyclic carbene cyclic palladium compound and preparation method and application thereof	20210316
CN-111879767-A	Color development test method of piperazine novel mental active substance	20200729
CN-111795963-A	Method for chromogenic detection of piperazine novel psychotropic active substances	20200729
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327

PMID	Publication Date	Title	Journal
26821219	20161201	Hepatotoxicity of piperazine designer drugs: up-regulation of key enzymes of cholesterol and lipid biosynthesis	Archives of toxicology
22535911	20120801	Differentiation of methylenedioxybenzylpiperazines and ethoxybenzylpiperazines by GC-IRD and GC-MS	Journal of chromatographic science
22170873	20120601	Differentiation of methoxybenzoylpiperazines (OMeBzPs) and methylenedioxybenzylpiperazines (MDBPs) By GC-IRD and GC-MS	Drug testing and analysis
22071119	20120501	Piperazine compounds as drugs of abuse	Drug and alcohol dependence
19589229	20090701	Metabolic interactions with piperazine-based 'party pill' drugs	The Journal of pharmacy and pharmacology

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GHS Hazard Statement:	H315 (90.91%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.121177757
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.121177757
Rotatable Bond Count:	2
Topological Polar Surface Area:	33.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1