1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol

C9H11F2N3O — CID 71091873

IUPAC1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc(F)c2F)CC1
InChIInChI=1S/C9H11F2N3O/c10-7-8(11)12-5-13-9(7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyKDBONMGOJYOKTN-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.72
Rot. Bonds1

About 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol

1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol (PubChem CID 71091873) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol
PubChem CID71091873
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc(F)c2F)CC1
InChIInChI=1S/C9H11F2N3O/c10-7-8(11)12-5-13-9(7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyKDBONMGOJYOKTN-UHFFFAOYSA-N
XLogP0.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol (CID 71091873) is 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol is OC1CCN(c2ncnc(F)c2F)CC1.
What is the InChIKey of 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is KDBONMGOJYOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-7-8(11)12-5-13-9(7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2.
What are the key properties of 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol?
1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 215.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 71091873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).