4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

C13H19F3N6O2 — CID 7279347

IUPAC4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19F3N6O2/c14-13(15,16)9-24-12-19-10(21-3-1-17-2-4-21)18-11(20-12)22-5-7-23-8-6-22/h17H,1-9H2
InChIKeyFPFYSCCBIXJHHN-UHFFFAOYSA-N
MW348.33 g/mol
LogP0.06
Rot. Bonds4

About 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 7279347) has the molecular formula C13H19F3N6O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID7279347
Molecular FormulaC13H19F3N6O2
Molecular Weight348.33 g/mol
Exact Mass348.15
IUPAC Name4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19F3N6O2/c14-13(15,16)9-24-12-19-10(21-3-1-17-2-4-21)18-11(20-12)22-5-7-23-8-6-22/h17H,1-9H2
InChIKeyFPFYSCCBIXJHHN-UHFFFAOYSA-N
XLogP0.06
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (CID 7279347) is 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is FC(F)(F)COc1nc(N2CCNCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is FPFYSCCBIXJHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N6O2/c14-13(15,16)9-24-12-19-10(21-3-1-17-2-4-21)18-11(20-12)22-5-7-23-8-6-22/h17H,1-9H2.
What are the key properties of 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 348.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 7279347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).