1-(4-Trifluoromethylphenyl)piperazine - CAS 30459-17-7

Catalog:	BB020600
Product Name:	1-(4-Trifluoromethylphenyl)piperazine
CAS:	30459-17-7
Synonyms:	1-[4-(trifluoromethyl)phenyl]piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-[4-(trifluoromethyl)phenyl]piperazine
Description:	1-(4-Trifluoromethylphenyl)piperazine (CAS# 30459-17-7) is a useful research chemical.
Molecular Weight:	230.23
Molecular Formula:	C11H13F3N2
Canonical SMILES:	C1CN(CCN1)C2=CC=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChI Key:	IBQMAPSJLHRQPE-UHFFFAOYSA-N
Boiling Point:	309.1 °C at 760 mmHg
Melting Point:	88-92 °C
Purity:	> 98 %
Density:	1.203 g/cm³
Appearance:	Colorless to light yellow crystals
MDL:	MFCD00040765
LogP:	2.50880

Publication Number	Title	Priority Date
CN-112341396-A	Novel monoacylglycerol esterase inhibitor and preparation method and application thereof	20201104
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021158698-A1	Muscarinic receptor 4 antagonists and methods of use	20200205
CN-113121429-A	C-Met kinase inhibitor and preparation method and application thereof	20200115

PMID	Publication Date	Title	Journal
22409771	20120412	Synthesis of novel 6-(4-substituted piperazine-1-yl)-9-(β-D-ribofuranosyl)purine derivatives, which lead to senescence-induced cell death in liver cancer cells	Journal of medicinal chemistry

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Related Functional Groups

Piperazines

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(R)-piperazin-2-ylmethanol dihydrochloride
[55513-17-2]
1-(3,4-Dichlorobenzyl)piperazine
[120-43-4]
Ethyl 1-piperazinecarboxylate
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[860227-61-8]
3-(4-Methylpiperazin-1-yl)propan-1-ol hydrochloride

GHS Hazard Statement:	H315 (100%): 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:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.10308291
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.10308291
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2