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

C11H15ClF2N2O — CID 164734819

IUPAC5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1cc(C2CNCCC2(F)F)ccc1=O
InChIInChI=1S/C11H14F2N2O.ClH/c1-15-7-8(2-3-10(15)16)9-6-14-5-4-11(9,12)13;/h2-3,7,9,14H,4-6H2,1H3;1H
InChIKeyUFHUIDWZZIDPIF-UHFFFAOYSA-N
MW264.70 g/mol
LogP1.52
Rot. Bonds1

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

5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride (PubChem CID 164734819) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride
PubChem CID164734819
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1cc(C2CNCCC2(F)F)ccc1=O
InChIInChI=1S/C11H14F2N2O.ClH/c1-15-7-8(2-3-10(15)16)9-6-14-5-4-11(9,12)13;/h2-3,7,9,14H,4-6H2,1H3;1H
InChIKeyUFHUIDWZZIDPIF-UHFFFAOYSA-N
XLogP1.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.52
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-methylpyridin-2-one;hydrochloride?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride (CID 164734819) is 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride is Cl.Cn1cc(C2CNCCC2(F)F)ccc1=O.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride?
The InChIKey is UFHUIDWZZIDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-15-7-8(2-3-10(15)16)9-6-14-5-4-11(9,12)13;/h2-3,7,9,14H,4-6H2,1H3;1H.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride?
5-(4,4-difluoropiperidin-3-yl)-1-methylpyridin-2-one;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 1.52, 1 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-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 164734819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).