1-(5-fluoropyrimidin-2-yl)piperidin-4-one

C9H10FN3O — CID 104606095

IUPAC1-(5-fluoropyrimidin-2-yl)piperidin-4-one
SMILESO=C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H10FN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6H,1-4H2
InChIKeyAZDLWIVOIHYEEK-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.79
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)piperidin-4-one

1-(5-fluoropyrimidin-2-yl)piperidin-4-one (PubChem CID 104606095) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidin-4-one
PubChem CID104606095
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidin-4-one
SMILESO=C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H10FN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6H,1-4H2
InChIKeyAZDLWIVOIHYEEK-UHFFFAOYSA-N
XLogP0.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidin-4-one?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidin-4-one (CID 104606095) is 1-(5-fluoropyrimidin-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidin-4-one?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidin-4-one is O=C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidin-4-one?
The InChIKey is AZDLWIVOIHYEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6H,1-4H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidin-4-one?
1-(5-fluoropyrimidin-2-yl)piperidin-4-one has a molecular weight of 195.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)piperidin-4-one is sourced from PubChem (CID 104606095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).