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

C11H14F3N3O — CID 141419453

IUPAC2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1NCCC[C@H]1Oc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c1-7-8(3-2-4-15-7)18-10-6-16-9(5-17-10)11(12,13)14/h5-8,15H,2-4H2,1H3/t7-,8+/m0/s1
InChIKeyMANUFVZXOWKAMT-JGVFFNPUSA-N
MW261.25 g/mol
LogP2.01
Rot. Bonds2

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

2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine (PubChem CID 141419453) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
PubChem CID141419453
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1NCCC[C@H]1Oc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c1-7-8(3-2-4-15-7)18-10-6-16-9(5-17-10)11(12,13)14/h5-8,15H,2-4H2,1H3/t7-,8+/m0/s1
InChIKeyMANUFVZXOWKAMT-JGVFFNPUSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(Trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
CID 117631445
3-Methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
CID 118939897
(1S,3R,4R,6R)-3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
CID 118939899
2-Methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine
CID 126556965
N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine
CID 132024830
(2S)-N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine
CID 132024837
(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-1-carbaldehyde
CID 134495378
2-(1-Methylpiperidin-3-yl)oxy-5-(trifluoromethyl)pyrazine
CID 134503326
2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
CID 134503445
2-Piperidin-3-yloxy-5-(trifluoromethyl)pyrazine
CID 134503477
(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
CID 135305303
(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.2]octane
CID 135305321

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine (CID 141419453) is 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine is C[C@@H]1NCCC[C@H]1Oc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
The InChIKey is MANUFVZXOWKAMT-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-8(3-2-4-15-7)18-10-6-16-9(5-17-10)11(12,13)14/h5-8,15H,2-4H2,1H3/t7-,8+/m0/s1.
What are the key properties of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine?
2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine has a molecular weight of 261.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 141419453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).