2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline

C19H18F3N5 — CID 171327302

IUPAC2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
SMILESFC(F)(F)c1ccc(CN2CCN(c3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)14-5-6-15(23-11-14)13-26-7-9-27(10-8-26)18-12-24-16-3-1-2-4-17(16)25-18/h1-6,11-12H,7-10,13H2
InChIKeyBQRSLJAMVTWJIB-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.37
Rot. Bonds3

About 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline

2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline (PubChem CID 171327302) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
PubChem CID171327302
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
SMILESFC(F)(F)c1ccc(CN2CCN(c3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)14-5-6-15(23-11-14)13-26-7-9-27(10-8-26)18-12-24-16-3-1-2-4-17(16)25-18/h1-6,11-12H,7-10,13H2
InChIKeyBQRSLJAMVTWJIB-UHFFFAOYSA-N
XLogP3.37
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 52555417
1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171995648
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 154828834
2-phenyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 27122809
7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
CID 171334705
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
1-[(5-fluoro-3-pyridinyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171994100
[4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-10-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methylphosphinic acid
CID 162536612
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline (CID 171327302) is 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline is FC(F)(F)c1ccc(CN2CCN(c3cnc4ccccc4n3)CC2)nc1.
What is the InChIKey of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline?
The InChIKey is BQRSLJAMVTWJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c20-19(21,22)14-5-6-15(23-11-14)13-26-7-9-27(10-8-26)18-12-24-16-3-1-2-4-17(16)25-18/h1-6,11-12H,7-10,13H2.
What are the key properties of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline?
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline has a molecular weight of 373.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 171327302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).