1-[4-(Trifluoromethyl)benzyl]piperazine - CAS 107890-32-4

Catalog:	BB002144
Product Name:	1-[4-(Trifluoromethyl)benzyl]piperazine
CAS:	107890-32-4
Synonyms:	1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
Description:	1-[4-(Trifluoromethyl)benzyl]piperazine (CAS# 107890-32-4) is a useful research chemical.
Molecular Weight:	244.26
Molecular Formula:	C12H15F3N2
Canonical SMILES:	C1CN(CCN1)CC2=CC=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChI Key:	FAFAFWFQFVLXGF-UHFFFAOYSA-N
Boiling Point:	284 °C at 760 mmHg
Purity:	95 %
Density:	1.189 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD03407490
LogP:	2.37730

Publication Number	Title	Priority Date
KR-102274238-B1	Disubstituted adamantyl derivative or pharmaceutically acceptable salt thereof, and pharmaceutical composition and kit for inhibiting the growth of cancer containing the same as an active ingredient	20200123
WO-2021149900-A1	Disubstituted adamantyl derivative or pharmaceutically acceptable salt thereof, and pharmaceutical composition for suppressing cancer growth comprising same as active ingredient	20200123
KR-102263733-B1	Vinyl-Stilbene Compounds and Uses Thereof	20200102
KR-102295918-B1	Vinyl-Stilbene Compounds and Uses Thereof	20200102
KR-20210087899-A	Vinyl-Stilbene Compounds and Uses Thereof	20200102

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Related Functional Groups

Piperazines

[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1217482-26-2]
(R)-piperazin-2-ylmethanol dihydrochloride
[55276-43-2]
1-Methanesulfonylpiperazine
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[120-43-4]
Ethyl 1-piperazinecarboxylate
[1095010-42-6]
N-(5-Methylsulphonyl-2-nitrophenyl)piperazine

GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.11873297
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.11873297
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2