4-piperazin-1-yl-2-(trifluoromethyl)quinoline

C14H14F3N3 — CID 2777813

IUPAC4-piperazin-1-yl-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2
InChIKeyVCJGCFMRAFRJNE-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.66
Rot. Bonds1

About 4-piperazin-1-yl-2-(trifluoromethyl)quinoline

4-piperazin-1-yl-2-(trifluoromethyl)quinoline (PubChem CID 2777813) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-piperazin-1-yl-2-(trifluoromethyl)quinoline
PubChem CID2777813
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-piperazin-1-yl-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2
InChIKeyVCJGCFMRAFRJNE-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-piperazin-1-yl-2-(trifluoromethyl)quinoline (CID 2777813) is 4-piperazin-1-yl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-piperazin-1-yl-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(N2CCNCC2)c2ccccc2n1.
What is the InChIKey of 4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The InChIKey is VCJGCFMRAFRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2.
What are the key properties of 4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
4-piperazin-1-yl-2-(trifluoromethyl)quinoline has a molecular weight of 281.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2777813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).