4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one

C14H19F3N2O — CID 138385731

IUPAC4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(CCCC(F)(F)F)CC2)cc[nH]1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)5-1-7-19-8-3-11(4-9-19)12-2-6-18-13(20)10-12/h2,6,10-11H,1,3-5,7-9H2,(H,18,20)
InChIKeyWVTNXOVFFDFRIZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.90
Rot. Bonds4

About 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138385731) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138385731
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(CCCC(F)(F)F)CC2)cc[nH]1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)5-1-7-19-8-3-11(4-9-19)12-2-6-18-13(20)10-12/h2,6,10-11H,1,3-5,7-9H2,(H,18,20)
InChIKeyWVTNXOVFFDFRIZ-UHFFFAOYSA-N
XLogP2.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one (CID 138385731) is 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one is O=c1cc(C2CCN(CCCC(F)(F)F)CC2)cc[nH]1.
What is the InChIKey of 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is WVTNXOVFFDFRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)5-1-7-19-8-3-11(4-9-19)12-2-6-18-13(20)10-12/h2,6,10-11H,1,3-5,7-9H2,(H,18,20).
What are the key properties of 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138385731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).