piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride

C11H12ClF3N2O — CID 119401952

IUPACpiperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-8-2-1-7(9(13)10(8)14)11(17)16-5-3-15-4-6-16;/h1-2,15H,3-6H2;1H
InChIKeyQHKAUPGMOXOCOG-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.57
Rot. Bonds1

About piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride

piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride (PubChem CID 119401952) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
PubChem CID119401952
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Namepiperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-8-2-1-7(9(13)10(8)14)11(17)16-5-3-15-4-6-16;/h1-2,15H,3-6H2;1H
InChIKeyQHKAUPGMOXOCOG-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
1H-pyrrol-3-yl-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]methanone
CID 110803209
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
methyl 4-oxo-4-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]butanoate
CID 110817877
(4-chloro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82512015
(3-fluoro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82511301
2-(4-methylphenyl)-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110365762

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride?
The IUPAC name of piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride (CID 119401952) is piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride is Cl.O=C(c1ccc(F)c(F)c1F)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride?
The InChIKey is QHKAUPGMOXOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O.ClH/c12-8-2-1-7(9(13)10(8)14)11(17)16-5-3-15-4-6-16;/h1-2,15H,3-6H2;1H.
What are the key properties of piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride?
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride has a molecular weight of 280.68 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119401952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).