2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C14H17F3N6O — CID 58039354

IUPAC2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(CC2CCNCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H17F3N6O/c15-14(16,17)8-24-13-21-11(7-10-1-3-18-4-2-10)20-12(22-13)23-6-5-19-9-23/h5-6,9-10,18H,1-4,7-8H2
InChIKeyJLDGQWTYVWIEAU-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.54
Rot. Bonds5

About 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 58039354) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID58039354
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(CC2CCNCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H17F3N6O/c15-14(16,17)8-24-13-21-11(7-10-1-3-18-4-2-10)20-12(22-13)23-6-5-19-9-23/h5-6,9-10,18H,1-4,7-8H2
InChIKeyJLDGQWTYVWIEAU-UHFFFAOYSA-N
XLogP1.54
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 58039354) is 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(CC2CCNCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is JLDGQWTYVWIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c15-14(16,17)8-24-13-21-11(7-10-1-3-18-4-2-10)20-12(22-13)23-6-5-19-9-23/h5-6,9-10,18H,1-4,7-8H2.
What are the key properties of 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 342.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 58039354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).