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

C10H12ClF3N4O — CID 62868246

IUPAC2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H12ClF3N4O/c11-7-15-8(18-4-2-1-3-5-18)17-9(16-7)19-6-10(12,13)14/h1-6H2
InChIKeyAXIQKEPPGLMIER-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.46
Rot. Bonds3

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

2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 62868246) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID62868246
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H12ClF3N4O/c11-7-15-8(18-4-2-1-3-5-18)17-9(16-7)19-6-10(12,13)14/h1-6H2
InChIKeyAXIQKEPPGLMIER-UHFFFAOYSA-N
XLogP2.46
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 62868246) is 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is AXIQKEPPGLMIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c11-7-15-8(18-4-2-1-3-5-18)17-9(16-7)19-6-10(12,13)14/h1-6H2.
What are the key properties of 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 296.68 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 62868246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).