2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine

C15H16FN3O — CID 110082256

IUPAC2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine
SMILESFc1cccc(Oc2cncc(C3CCCNC3)n2)c1
InChIInChI=1S/C15H16FN3O/c16-12-4-1-5-13(7-12)20-15-10-18-9-14(19-15)11-3-2-6-17-8-11/h1,4-5,7,9-11,17H,2-3,6,8H2
InChIKeyNNGAVVJPHQJWSC-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine

2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine (PubChem CID 110082256) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine
PubChem CID110082256
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine
SMILESFc1cccc(Oc2cncc(C3CCCNC3)n2)c1
InChIInChI=1S/C15H16FN3O/c16-12-4-1-5-13(7-12)20-15-10-18-9-14(19-15)11-3-2-6-17-8-11/h1,4-5,7,9-11,17H,2-3,6,8H2
InChIKeyNNGAVVJPHQJWSC-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine?
The IUPAC name of 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine (CID 110082256) is 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine.
What is the SMILES notation for 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine?
The canonical SMILES for 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine is Fc1cccc(Oc2cncc(C3CCCNC3)n2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine?
The InChIKey is NNGAVVJPHQJWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-4-1-5-13(7-12)20-15-10-18-9-14(19-15)11-3-2-6-17-8-11/h1,4-5,7,9-11,17H,2-3,6,8H2.
What are the key properties of 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine?
2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine has a molecular weight of 273.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-6-piperidin-3-ylpyrazine is sourced from PubChem (CID 110082256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).