3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

C13H17F2N3O — CID 91780560

IUPAC3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C13H17F2N3O/c14-13(15)1-3-18(4-2-13)12-7-11(16-8-17-12)9-5-10(19)6-9/h7-10,19H,1-6H2
InChIKeyYIGUVOJHFPSNOX-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.95
Rot. Bonds2

About 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91780560) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91780560
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C13H17F2N3O/c14-13(15)1-3-18(4-2-13)12-7-11(16-8-17-12)9-5-10(19)6-9/h7-10,19H,1-6H2
InChIKeyYIGUVOJHFPSNOX-UHFFFAOYSA-N
XLogP1.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91780560) is 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCC(F)(F)CC3)ncn2)C1.
What is the InChIKey of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YIGUVOJHFPSNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-13(15)1-3-18(4-2-13)12-7-11(16-8-17-12)9-5-10(19)6-9/h7-10,19H,1-6H2.
What are the key properties of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 269.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91780560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).