2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine

C16H16BrF3N4O — CID 163354195

IUPAC2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
SMILESFC(F)(F)c1cnc(N2CCCC(COc3cnccn3)C2)c(Br)c1
InChIInChI=1S/C16H16BrF3N4O/c17-13-6-12(16(18,19)20)7-23-15(13)24-5-1-2-11(9-24)10-25-14-8-21-3-4-22-14/h3-4,6-8,11H,1-2,5,9-10H2
InChIKeyKSGXJHWCJRSOQN-UHFFFAOYSA-N
MW417.23 g/mol
LogP3.95
Rot. Bonds4

About 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine

2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine (PubChem CID 163354195) has the molecular formula C16H16BrF3N4O and a molecular weight of 417.23 g/mol. Its IUPAC name is 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
PubChem CID163354195
Molecular FormulaC16H16BrF3N4O
Molecular Weight417.23 g/mol
Exact Mass416.05
IUPAC Name2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
SMILESFC(F)(F)c1cnc(N2CCCC(COc3cnccn3)C2)c(Br)c1
InChIInChI=1S/C16H16BrF3N4O/c17-13-6-12(16(18,19)20)7-23-15(13)24-5-1-2-11(9-24)10-25-14-8-21-3-4-22-14/h3-4,6-8,11H,1-2,5,9-10H2
InChIKeyKSGXJHWCJRSOQN-UHFFFAOYSA-N
XLogP3.95
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine (CID 163354195) is 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine is FC(F)(F)c1cnc(N2CCCC(COc3cnccn3)C2)c(Br)c1.
What is the InChIKey of 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
The InChIKey is KSGXJHWCJRSOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF3N4O/c17-13-6-12(16(18,19)20)7-23-15(13)24-5-1-2-11(9-24)10-25-14-8-21-3-4-22-14/h3-4,6-8,11H,1-2,5,9-10H2.
What are the key properties of 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine?
2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine has a molecular weight of 417.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 163354195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).