1-(4-Methylphenyl)piperazine - CAS 39593-08-3

Catalog:	BB024049
Product Name:	1-(4-Methylphenyl)piperazine
CAS:	39593-08-3
Synonyms:	1-(4-methylphenyl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-(4-methylphenyl)piperazine
Description:	1-(4-Methylphenyl)piperazine (CAS# 39593-08-3) is useful in the synthesis of 10H-Phenothiazine derivatives as ferroptosis inhibitors. This is useful in the treatment of stroke.
Molecular Weight:	176.26
Molecular Formula:	C11H16N2
Canonical SMILES:	CC1=CC=C(C=C1)N2CCNCC2
InChI:	InChI=1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key:	ONEYFZXGNFNRJH-UHFFFAOYSA-N
Boiling Point:	116 °C (1 torr)
Purity:	> 98 %
Density:	1.012 g/cm³
Appearance:	White to yellow low melting solid
MDL:	MFCD00040737
LogP:	1.79840

Publication Number	Title	Priority Date
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
CN-113121429-A	C-Met kinase inhibitor and preparation method and application thereof	20200115
WO-2021101268-A1	Benzamide derivative, preparation method therefor, and pharmaceutical composition comprising same as active ingredient for prevention or treatment of cancer	20191119

PMID	Publication Date	Title	Journal
22452412	20120412	Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein	Journal of medicinal chemistry
20800845	20101001	Analysis of phenylpiperazine-like stimulants in human hair as trimethylsilyl derivatives by gas chromatography-mass spectrometry	Journal of chromatography. A

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Related Functional Groups

Piperazines

[55276-43-2]
1-Methanesulfonylpiperazine
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[27469-60-9]
1-Bis(4-fluorophenyl)methyl piperazine
[1431965-19-3]
4-(4-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl)aniline hydrochloride
[1303889-86-2]
tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
[402832-69-3]
(2S,6S)-2,6-Dimethylpiperazine

GHS Hazard Statement:	H315 (95.12%): 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:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.131348519
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.131348519
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5