2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine

C16H17F3N4O2 — CID 22481996

IUPAC2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine
SMILESFC(F)(F)Oc1ccccc1COc1cncc(N2CCNCC2)n1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-13-4-2-1-3-12(13)11-24-15-10-21-9-14(22-15)23-7-5-20-6-8-23/h1-4,9-10,20H,5-8,11H2
InChIKeyLRJLZWJNNRAYJJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.36
Rot. Bonds5

About 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine

2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine (PubChem CID 22481996) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine.

Molecular Properties

Compound Name2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine
PubChem CID22481996
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine
SMILESFC(F)(F)Oc1ccccc1COc1cncc(N2CCNCC2)n1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-13-4-2-1-3-12(13)11-24-15-10-21-9-14(22-15)23-7-5-20-6-8-23/h1-4,9-10,20H,5-8,11H2
InChIKeyLRJLZWJNNRAYJJ-UHFFFAOYSA-N
XLogP2.36
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine?
The IUPAC name of 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine (CID 22481996) is 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine.
What is the SMILES notation for 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine?
The canonical SMILES for 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine is FC(F)(F)Oc1ccccc1COc1cncc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine?
The InChIKey is LRJLZWJNNRAYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)25-13-4-2-1-3-12(13)11-24-15-10-21-9-14(22-15)23-7-5-20-6-8-23/h1-4,9-10,20H,5-8,11H2.
What are the key properties of 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine?
2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine has a molecular weight of 354.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine is sourced from PubChem (CID 22481996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).