4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one

C9H11F2N3O — CID 146673525

IUPAC4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(F)(F)CC2)nc[nH]1
InChIInChI=1S/C9H11F2N3O/c10-9(11)1-3-14(4-2-9)7-5-8(15)13-6-12-7/h5-6H,1-4H2,(H,12,13,15)
InChIKeyBFOMKASKAOHQNR-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.01
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one

4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 146673525) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID146673525
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(F)(F)CC2)nc[nH]1
InChIInChI=1S/C9H11F2N3O/c10-9(11)1-3-14(4-2-9)7-5-8(15)13-6-12-7/h5-6H,1-4H2,(H,12,13,15)
InChIKeyBFOMKASKAOHQNR-UHFFFAOYSA-N
XLogP1.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one (CID 146673525) is 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC(F)(F)CC2)nc[nH]1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BFOMKASKAOHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)1-3-14(4-2-9)7-5-8(15)13-6-12-7/h5-6H,1-4H2,(H,12,13,15).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 215.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 146673525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).