3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one

C11H15F2N3O — CID 163237615

IUPAC3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESNCc1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C11H15F2N3O/c12-11(13)1-2-15-6-9(11)8-3-7(4-14)10(17)16-5-8/h3,5,9,15H,1-2,4,6,14H2,(H,16,17)
InChIKeyIFPIVTUUIMVHHF-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.55
Rot. Bonds2

About 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one

3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (PubChem CID 163237615) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
PubChem CID163237615
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESNCc1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C11H15F2N3O/c12-11(13)1-2-15-6-9(11)8-3-7(4-14)10(17)16-5-8/h3,5,9,15H,1-2,4,6,14H2,(H,16,17)
InChIKeyIFPIVTUUIMVHHF-UHFFFAOYSA-N
XLogP0.55
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (CID 163237615) is 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is NCc1cc(C2CNCCC2(F)F)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The InChIKey is IFPIVTUUIMVHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)1-2-15-6-9(11)8-3-7(4-14)10(17)16-5-8/h3,5,9,15H,1-2,4,6,14H2,(H,16,17).
What are the key properties of 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one has a molecular weight of 243.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 163237615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).