N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C17H16F7N5O — CID 2827462

IUPACN-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C17H16F7N5O/c18-10-4-6-11(7-5-10)25-13-26-14(29-8-2-1-3-9-29)28-15(27-13)30-12(16(19,20)21)17(22,23)24/h4-7,12H,1-3,8-9H2,(H,25,26,27,28)
InChIKeyPPUFXAQLPNFBRY-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.62
Rot. Bonds5

About N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 2827462) has the molecular formula C17H16F7N5O and a molecular weight of 439.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID2827462
Molecular FormulaC17H16F7N5O
Molecular Weight439.34 g/mol
Exact Mass439.12
IUPAC NameN-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C17H16F7N5O/c18-10-4-6-11(7-5-10)25-13-26-14(29-8-2-1-3-9-29)28-15(27-13)30-12(16(19,20)21)17(22,23)24/h4-7,12H,1-3,8-9H2,(H,25,26,27,28)
InChIKeyPPUFXAQLPNFBRY-UHFFFAOYSA-N
XLogP4.62
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
(4-Chloro-6-piperidyl(1,3,5-triazin-2-yl))phenylamine
CID 836972
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 2827462) is N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PPUFXAQLPNFBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F7N5O/c18-10-4-6-11(7-5-10)25-13-26-14(29-8-2-1-3-9-29)28-15(27-13)30-12(16(19,20)21)17(22,23)24/h4-7,12H,1-3,8-9H2,(H,25,26,27,28).
What are the key properties of N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 439.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2827462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).