1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol

C13H19F2N3O — CID 134595647

IUPAC1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol
SMILESCC(C)(C)c1ccc(N2CCC(O)C(F)(F)C2)nn1
InChIInChI=1S/C13H19F2N3O/c1-12(2,3)9-4-5-11(17-16-9)18-7-6-10(19)13(14,15)8-18/h4-5,10,19H,6-8H2,1-3H3
InChIKeyZCHZGIQCFNKMMM-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.98
Rot. Bonds1

About 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol

1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol (PubChem CID 134595647) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol
PubChem CID134595647
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol
SMILESCC(C)(C)c1ccc(N2CCC(O)C(F)(F)C2)nn1
InChIInChI=1S/C13H19F2N3O/c1-12(2,3)9-4-5-11(17-16-9)18-7-6-10(19)13(14,15)8-18/h4-5,10,19H,6-8H2,1-3H3
InChIKeyZCHZGIQCFNKMMM-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol (CID 134595647) is 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol is CC(C)(C)c1ccc(N2CCC(O)C(F)(F)C2)nn1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol?
The InChIKey is ZCHZGIQCFNKMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-12(2,3)9-4-5-11(17-16-9)18-7-6-10(19)13(14,15)8-18/h4-5,10,19H,6-8H2,1-3H3.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol?
1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol has a molecular weight of 271.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-3,3-difluoropiperidin-4-ol is sourced from PubChem (CID 134595647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).