2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

C22H28F3N5O — CID 23368049

IUPAC2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESFC(F)(F)c1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C22H28F3N5O/c23-22(24,25)19-8-5-9-20(28-19)30-13-11-29(12-14-30)10-3-4-15-31-21-16-26-17-6-1-2-7-18(17)27-21/h5,8-9,16H,1-4,6-7,10-15H2
InChIKeyKZZMHGGOGBLIGF-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.75
Rot. Bonds7

About 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (PubChem CID 23368049) has the molecular formula C22H28F3N5O and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
PubChem CID23368049
Molecular FormulaC22H28F3N5O
Molecular Weight435.49 g/mol
Exact Mass435.22
IUPAC Name2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESFC(F)(F)c1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C22H28F3N5O/c23-22(24,25)19-8-5-9-20(28-19)30-13-11-29(12-14-30)10-3-4-15-31-21-16-26-17-6-1-2-7-18(17)27-21/h5,8-9,16H,1-4,6-7,10-15H2
InChIKeyKZZMHGGOGBLIGF-UHFFFAOYSA-N
XLogP3.75
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline with MolForge

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Related Compounds

1,2,3,4,4a,5-Hexahydropyrido[1',2':4,5][1,4]oxazino[2,3-b]quinoxaline
CID 4438134
(3-Ethoxy-pyrazin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11458873
2-Ethoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853663
[1-[3-(1-Quinoxalin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547951
2-(4-Methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline
CID 24854640
2-(4-Methylpiperazin-1-yl)-3-(2-methylpropoxy)quinoxaline
CID 8070044
2-(4-Methylpiperazin-1-yl)-3-(pyridin-4-ylmethoxy)quinoxaline
CID 24853593
2-[3-[3-(4,4-Difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670858
2-[3-[3-(3,3-Difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547766
2-[3-[3-[4-(Trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548119
N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine
CID 24853528
2-[4-[4-(2-Fluorophenyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 9929977

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (CID 23368049) is 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is FC(F)(F)c1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1.
What is the InChIKey of 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is KZZMHGGOGBLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O/c23-22(24,25)19-8-5-9-20(28-19)30-13-11-29(12-14-30)10-3-4-15-31-21-16-26-17-6-1-2-7-18(17)27-21/h5,8-9,16H,1-4,6-7,10-15H2.
What are the key properties of 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 435.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 23368049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).