2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine

C14H12F12N4O2 — CID 550156

IUPAC2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C14H12F12N4O2/c15-11(16,17)6(12(18,19)20)31-9-27-8(30-4-2-1-3-5-30)28-10(29-9)32-7(13(21,22)23)14(24,25)26/h6-7H,1-5H2
InChIKeyORCYHIOAJIVZNS-UHFFFAOYSA-N
MW496.25 g/mol
LogP4.61
Rot. Bonds5

About 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine

2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 550156) has the molecular formula C14H12F12N4O2 and a molecular weight of 496.25 g/mol. Its IUPAC name is 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine
PubChem CID550156
Molecular FormulaC14H12F12N4O2
Molecular Weight496.25 g/mol
Exact Mass496.08
IUPAC Name2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C14H12F12N4O2/c15-11(16,17)6(12(18,19)20)31-9-27-8(30-4-2-1-3-5-30)28-10(29-9)32-7(13(21,22)23)14(24,25)26/h6-7H,1-5H2
InChIKeyORCYHIOAJIVZNS-UHFFFAOYSA-N
XLogP4.61
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.25
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

[(4-Methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
CID 4918510
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(4-morpholyl)-
CID 549986
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
2,4-Bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 3912928
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-4-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3,5-triazine
CID 1068865
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N,N-dimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 3942683
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N,N-dipropyl-1,3,5-triazin-2-amine
CID 3942684
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827320
4-(1-piperidinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 2192487

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine (CID 550156) is 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine is FC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is ORCYHIOAJIVZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F12N4O2/c15-11(16,17)6(12(18,19)20)31-9-27-8(30-4-2-1-3-5-30)28-10(29-9)32-7(13(21,22)23)14(24,25)26/h6-7H,1-5H2.
What are the key properties of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine?
2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 496.25 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 550156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).