1-(Trifluoromethyl)piperazine - CAS 78409-50-4

Catalog:	BB036164
Product Name:	1-(Trifluoromethyl)piperazine
CAS:	78409-50-4
Synonyms:	1-(trifluoromethyl)piperazine; 1-(trifluoromethyl)piperazine

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Computed Properties

IUPAC Name:	1-(trifluoromethyl)piperazine
Description:	1-(Trifluoromethyl)piperazine (CAS# 78409-50-4 ) is a useful research chemical.
Molecular Weight:	154.13
Molecular Formula:	C5H9F3N2
Canonical SMILES:	C1CN(CCN1)C(F)(F)F
InChI:	InChI=1S/C5H9F3N2/c6-5(7,8)10-3-1-9-2-4-10/h9H,1-4H2
InChI Key:	GYTNHXJUEGTRJD-UHFFFAOYSA-N
LogP:	0.67810

Publication Number	Title	Priority Date
WO-2021197467-A1	Multi-target anti-tumor compound, preparation method therefor and use thereof	20200402
WO-2020132014-A1	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219
EP-3897636-A1	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219
CN-110467597-A	Aralkyl cyclammonium analog derivative and its application in multiple target point anti-depression drug	20180511
TW-201940485-A	Aminopyrrolotriamidine as a kinase inhibitor	20180126

PMID	Publication Date	Title	Journal
15380867	20040901	Differential effects of 5-HT1 and 5-HT2 receptor agonists on hindlimb movements in paraplegic mice	Progress in neuro-psychopharmacology & biological psychiatry

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Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.07178278
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.07178278
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8