4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline

C14H22F3N3 — CID 142160730

IUPAC4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
SMILESFC(F)(F)C1CC(N2CCNCC2)C2CCCC=C2N1
InChIInChI=1S/C14H22F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h4,10,12-13,18-19H,1-3,5-9H2
InChIKeyZXWDFRBJDSLMTJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.87
Rot. Bonds1

About 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline

4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline (PubChem CID 142160730) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline.

Molecular Properties

Compound Name4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
PubChem CID142160730
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
SMILESFC(F)(F)C1CC(N2CCNCC2)C2CCCC=C2N1
InChIInChI=1S/C14H22F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h4,10,12-13,18-19H,1-3,5-9H2
InChIKeyZXWDFRBJDSLMTJ-UHFFFAOYSA-N
XLogP1.87
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The IUPAC name of 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline (CID 142160730) is 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline.
What is the SMILES notation for 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The canonical SMILES for 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline is FC(F)(F)C1CC(N2CCNCC2)C2CCCC=C2N1.
What is the InChIKey of 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The InChIKey is ZXWDFRBJDSLMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h4,10,12-13,18-19H,1-3,5-9H2.
What are the key properties of 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline has a molecular weight of 289.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline is sourced from PubChem (CID 142160730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).