1-(6-fluoro-2-pyridinyl)piperidin-4-one

C10H11FN2O — CID 1486289

IUPAC1-(6-fluoro-2-pyridinyl)piperidin-4-one
SMILESO=C1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2
InChIKeyVDABBWFIBCXQRU-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.39
Rot. Bonds1

About 1-(6-fluoro-2-pyridinyl)piperidin-4-one

1-(6-fluoro-2-pyridinyl)piperidin-4-one (PubChem CID 1486289) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)piperidin-4-one
PubChem CID1486289
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(6-fluoro-2-pyridinyl)piperidin-4-one
SMILESO=C1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2
InChIKeyVDABBWFIBCXQRU-UHFFFAOYSA-N
XLogP1.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)piperidin-4-one?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)piperidin-4-one (CID 1486289) is 1-(6-fluoro-2-pyridinyl)piperidin-4-one.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)piperidin-4-one?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)piperidin-4-one is O=C1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)piperidin-4-one?
The InChIKey is VDABBWFIBCXQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2.
What are the key properties of 1-(6-fluoro-2-pyridinyl)piperidin-4-one?
1-(6-fluoro-2-pyridinyl)piperidin-4-one has a molecular weight of 194.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)piperidin-4-one is sourced from PubChem (CID 1486289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).