4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine

C16H18FN3O2 — CID 118740174

IUPAC4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCOc1cccc(CN2CCOC(c3cnccn3)C2)c1F
InChIInChI=1S/C16H18FN3O2/c1-21-14-4-2-3-12(16(14)17)10-20-7-8-22-15(11-20)13-9-18-5-6-19-13/h2-6,9,15H,7-8,10-11H2,1H3
InChIKeyRAWTXEBLFNGZIU-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.20
Rot. Bonds4

About 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine

4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine (PubChem CID 118740174) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
PubChem CID118740174
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCOc1cccc(CN2CCOC(c3cnccn3)C2)c1F
InChIInChI=1S/C16H18FN3O2/c1-21-14-4-2-3-12(16(14)17)10-20-7-8-22-15(11-20)13-9-18-5-6-19-13/h2-6,9,15H,7-8,10-11H2,1H3
InChIKeyRAWTXEBLFNGZIU-UHFFFAOYSA-N
XLogP2.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine (CID 118740174) is 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The canonical SMILES for 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine is COc1cccc(CN2CCOC(c3cnccn3)C2)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The InChIKey is RAWTXEBLFNGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-21-14-4-2-3-12(16(14)17)10-20-7-8-22-15(11-20)13-9-18-5-6-19-13/h2-6,9,15H,7-8,10-11H2,1H3.
What are the key properties of 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine has a molecular weight of 303.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 118740174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).