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

C13H20F3N6O2+ — CID 7279346

IUPAC4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CC[NH2+]CC2)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/p+1
InChIKeyFPFYSCCBIXJHHN-UHFFFAOYSA-O
MW349.34 g/mol
LogP-0.97
Rot. Bonds4

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

4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 7279346) has the molecular formula C13H20F3N6O2+ and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID7279346
Molecular FormulaC13H20F3N6O2+
Molecular Weight349.34 g/mol
Exact Mass349.16
IUPAC Name4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(N2CC[NH2+]CC2)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/p+1
InChIKeyFPFYSCCBIXJHHN-UHFFFAOYSA-O
XLogP-0.97
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (CID 7279346) is 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is FC(F)(F)COc1nc(N2CC[NH2+]CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is FPFYSCCBIXJHHN-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 349.34 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 7279346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).