1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol

C16H24N6O — CID 138022978

IUPAC1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
SMILESCCc1cc(N2CCC(O)(Cn3ccnn3)CC2)nc(CC)n1
InChIInChI=1S/C16H24N6O/c1-3-13-11-15(19-14(4-2)18-13)21-8-5-16(23,6-9-21)12-22-10-7-17-20-22/h7,10-11,23H,3-6,8-9,12H2,1-2H3
InChIKeyOEGKRTBIDANIRE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.22
Rot. Bonds5

About 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol

1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol (PubChem CID 138022978) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
PubChem CID138022978
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
SMILESCCc1cc(N2CCC(O)(Cn3ccnn3)CC2)nc(CC)n1
InChIInChI=1S/C16H24N6O/c1-3-13-11-15(19-14(4-2)18-13)21-8-5-16(23,6-9-21)12-22-10-7-17-20-22/h7,10-11,23H,3-6,8-9,12H2,1-2H3
InChIKeyOEGKRTBIDANIRE-UHFFFAOYSA-N
XLogP1.22
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol (CID 138022978) is 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol is CCc1cc(N2CCC(O)(Cn3ccnn3)CC2)nc(CC)n1.
What is the InChIKey of 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is OEGKRTBIDANIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-13-11-15(19-14(4-2)18-13)21-8-5-16(23,6-9-21)12-22-10-7-17-20-22/h7,10-11,23H,3-6,8-9,12H2,1-2H3.
What are the key properties of 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 316.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 138022978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).