2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine

C20H24FN3O2 — CID 95823060

IUPAC2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
SMILESFc1cccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)c1
InChIInChI=1S/C20H24FN3O2/c21-16-2-1-3-18(14-16)26-20-19(22-8-9-23-20)15-4-10-24(11-5-15)17-6-12-25-13-7-17/h1-3,8-9,14-15,17H,4-7,10-13H2
InChIKeyWDSFINMPUQHJLY-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.77
Rot. Bonds4

About 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine

2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine (PubChem CID 95823060) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
PubChem CID95823060
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
SMILESFc1cccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)c1
InChIInChI=1S/C20H24FN3O2/c21-16-2-1-3-18(14-16)26-20-19(22-8-9-23-20)15-4-10-24(11-5-15)17-6-12-25-13-7-17/h1-3,8-9,14-15,17H,4-7,10-13H2
InChIKeyWDSFINMPUQHJLY-UHFFFAOYSA-N
XLogP3.77
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
The IUPAC name of 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine (CID 95823060) is 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine.
What is the SMILES notation for 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
The canonical SMILES for 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine is Fc1cccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
The InChIKey is WDSFINMPUQHJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-16-2-1-3-18(14-16)26-20-19(22-8-9-23-20)15-4-10-24(11-5-15)17-6-12-25-13-7-17/h1-3,8-9,14-15,17H,4-7,10-13H2.
What are the key properties of 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine has a molecular weight of 357.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine is sourced from PubChem (CID 95823060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).