5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one

C13H19F2N3O — CID 86716047

IUPAC5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one
SMILESCn1cc(C(CN)N2CCC(F)(F)CC2)ccc1=O
InChIInChI=1S/C13H19F2N3O/c1-17-9-10(2-3-12(17)19)11(8-16)18-6-4-13(14,15)5-7-18/h2-3,9,11H,4-8,16H2,1H3
InChIKeyPDGFXXCLAPFNEP-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.12
Rot. Bonds3

About 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one

5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one (PubChem CID 86716047) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one
PubChem CID86716047
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one
SMILESCn1cc(C(CN)N2CCC(F)(F)CC2)ccc1=O
InChIInChI=1S/C13H19F2N3O/c1-17-9-10(2-3-12(17)19)11(8-16)18-6-4-13(14,15)5-7-18/h2-3,9,11H,4-8,16H2,1H3
InChIKeyPDGFXXCLAPFNEP-UHFFFAOYSA-N
XLogP1.12
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one (CID 86716047) is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one is Cn1cc(C(CN)N2CCC(F)(F)CC2)ccc1=O.
What is the InChIKey of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one?
The InChIKey is PDGFXXCLAPFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-17-9-10(2-3-12(17)19)11(8-16)18-6-4-13(14,15)5-7-18/h2-3,9,11H,4-8,16H2,1H3.
What are the key properties of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one?
5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one has a molecular weight of 271.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1-methylpyridin-2-one is sourced from PubChem (CID 86716047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).