2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile

C15H18F2N2O — CID 67532797

IUPAC2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile
SMILESCCN1CCC(c2cccc(OC(F)F)c2C#N)CC1
InChIInChI=1S/C15H18F2N2O/c1-2-19-8-6-11(7-9-19)12-4-3-5-14(13(12)10-18)20-15(16)17/h3-5,11,15H,2,6-9H2,1H3
InChIKeyOYFQTZMEPGEWIF-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.36
Rot. Bonds4

About 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile

2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile (PubChem CID 67532797) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile
PubChem CID67532797
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile
SMILESCCN1CCC(c2cccc(OC(F)F)c2C#N)CC1
InChIInChI=1S/C15H18F2N2O/c1-2-19-8-6-11(7-9-19)12-4-3-5-14(13(12)10-18)20-15(16)17/h3-5,11,15H,2,6-9H2,1H3
InChIKeyOYFQTZMEPGEWIF-UHFFFAOYSA-N
XLogP3.36
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile?
The IUPAC name of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile (CID 67532797) is 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile?
The canonical SMILES for 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile is CCN1CCC(c2cccc(OC(F)F)c2C#N)CC1.
What is the InChIKey of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile?
The InChIKey is OYFQTZMEPGEWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-2-19-8-6-11(7-9-19)12-4-3-5-14(13(12)10-18)20-15(16)17/h3-5,11,15H,2,6-9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile?
2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile has a molecular weight of 280.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)benzonitrile is sourced from PubChem (CID 67532797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).