2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine

C11H14F3N3O — CID 134503445

IUPAC2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
SMILESCN1CCC[C@@H](Oc2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H14F3N3O/c1-17-4-2-3-8(7-17)18-10-6-15-9(5-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyAOUKYINPAPNJLN-MRVPVSSYSA-N
MW261.25 g/mol
LogP1.97
Rot. Bonds2

About 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine

2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine (PubChem CID 134503445) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
PubChem CID134503445
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
SMILESCN1CCC[C@@H](Oc2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H14F3N3O/c1-17-4-2-3-8(7-17)18-10-6-15-9(5-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyAOUKYINPAPNJLN-MRVPVSSYSA-N
XLogP1.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine (CID 134503445) is 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine is CN1CCC[C@@H](Oc2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
The InChIKey is AOUKYINPAPNJLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17-4-2-3-8(7-17)18-10-6-15-9(5-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine has a molecular weight of 261.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 134503445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).