2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine

C16H17F3N4O — CID 163354154

IUPAC2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
SMILESFC(F)(F)c1ccc(N2CCCC(COc3cnccn3)C2)cn1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-4-3-13(8-22-14)23-7-1-2-12(10-23)11-24-15-9-20-5-6-21-15/h3-6,8-9,12H,1-2,7,10-11H2
InChIKeyQVRGBXJMGZGEQG-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.19
Rot. Bonds4

About 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine

2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine (PubChem CID 163354154) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
PubChem CID163354154
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
SMILESFC(F)(F)c1ccc(N2CCCC(COc3cnccn3)C2)cn1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-4-3-13(8-22-14)23-7-1-2-12(10-23)11-24-15-9-20-5-6-21-15/h3-6,8-9,12H,1-2,7,10-11H2
InChIKeyQVRGBXJMGZGEQG-UHFFFAOYSA-N
XLogP3.19
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine (CID 163354154) is 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine is FC(F)(F)c1ccc(N2CCCC(COc3cnccn3)C2)cn1.
What is the InChIKey of 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
The InChIKey is QVRGBXJMGZGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)14-4-3-13(8-22-14)23-7-1-2-12(10-23)11-24-15-9-20-5-6-21-15/h3-6,8-9,12H,1-2,7,10-11H2.
What are the key properties of 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine has a molecular weight of 338.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 163354154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).