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

C16H21F6N5O — CID 1113194

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(N2CCCCC2)nc(N2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C16H21F6N5O/c17-15(18,19)11(16(20,21)22)28-14-24-12(26-7-3-1-4-8-26)23-13(25-14)27-9-5-2-6-10-27/h11H,1-10H2
InChIKeyTYFGHVUMNWVIGZ-UHFFFAOYSA-N
MW413.37 g/mol
LogP3.72
Rot. Bonds4

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

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine (PubChem CID 1113194) has the molecular formula C16H21F6N5O and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
PubChem CID1113194
Molecular FormulaC16H21F6N5O
Molecular Weight413.37 g/mol
Exact Mass413.17
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(N2CCCCC2)nc(N2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C16H21F6N5O/c17-15(18,19)11(16(20,21)22)28-14-24-12(26-7-3-1-4-8-26)23-13(25-14)27-9-5-2-6-10-27/h11H,1-10H2
InChIKeyTYFGHVUMNWVIGZ-UHFFFAOYSA-N
XLogP3.72
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 3158768
2-(1-Piperazinyl)-4-(1-piperidinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 2826887
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
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
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 3942685
2-(Morpholin-4-yl)-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 4687910
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
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2192544
N,N-dipentyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 2827276

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine (CID 1113194) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine is FC(F)(F)C(Oc1nc(N2CCCCC2)nc(N2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine?
The InChIKey is TYFGHVUMNWVIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F6N5O/c17-15(18,19)11(16(20,21)22)28-14-24-12(26-7-3-1-4-8-26)23-13(25-14)27-9-5-2-6-10-27/h11H,1-10H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine has a molecular weight of 413.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 1113194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).