1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol

C17H20FN3O — CID 16667992

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol
SMILESCc1cc(N2CCC(O)(c3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C17H20FN3O/c1-12-11-16(20-13(2)19-12)21-9-7-17(22,8-10-21)14-5-3-4-6-15(14)18/h3-6,11,22H,7-10H2,1-2H3
InChIKeyOTKCGNUSTDIUSR-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds2

About 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol

1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 16667992) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID16667992
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol
SMILESCc1cc(N2CCC(O)(c3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C17H20FN3O/c1-12-11-16(20-13(2)19-12)21-9-7-17(22,8-10-21)14-5-3-4-6-15(14)18/h3-6,11,22H,7-10H2,1-2H3
InChIKeyOTKCGNUSTDIUSR-UHFFFAOYSA-N
XLogP2.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol (CID 16667992) is 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol is Cc1cc(N2CCC(O)(c3ccccc3F)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is OTKCGNUSTDIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-11-16(20-13(2)19-12)21-9-7-17(22,8-10-21)14-5-3-4-6-15(14)18/h3-6,11,22H,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol?
1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 301.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 16667992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).