5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride

C13H19ClF2N2O — CID 164734612

IUPAC5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride
SMILESCC(C)n1cc(C2CNCCC2(F)F)ccc1=O.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(2)17-8-10(3-4-12(17)18)11-7-16-6-5-13(11,14)15;/h3-4,8-9,11,16H,5-7H2,1-2H3;1H
InChIKeyOLSKXLWSUOOFQN-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.56
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride

5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride (PubChem CID 164734612) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride
PubChem CID164734612
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride
SMILESCC(C)n1cc(C2CNCCC2(F)F)ccc1=O.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(2)17-8-10(3-4-12(17)18)11-7-16-6-5-13(11,14)15;/h3-4,8-9,11,16H,5-7H2,1-2H3;1H
InChIKeyOLSKXLWSUOOFQN-UHFFFAOYSA-N
XLogP2.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride (CID 164734612) is 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride is CC(C)n1cc(C2CNCCC2(F)F)ccc1=O.Cl.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride?
The InChIKey is OLSKXLWSUOOFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-9(2)17-8-10(3-4-12(17)18)11-7-16-6-5-13(11,14)15;/h3-4,8-9,11,16H,5-7H2,1-2H3;1H.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride?
5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride is sourced from PubChem (CID 164734612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).