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

C13H17F6N5O — CID 633000

IUPACN-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C13H17F6N5O/c1-2-20-9-21-10(24-6-4-3-5-7-24)23-11(22-9)25-8(12(14,15)16)13(17,18)19/h8H,2-7H2,1H3,(H,20,21,22,23)
InChIKeyGMHPMLBWQIBNCH-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.17
Rot. Bonds5

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

N-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 633000) has the molecular formula C13H17F6N5O and a molecular weight of 373.30 g/mol. Its IUPAC name is N-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID633000
Molecular FormulaC13H17F6N5O
Molecular Weight373.30 g/mol
Exact Mass373.13
IUPAC NameN-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C13H17F6N5O/c1-2-20-9-21-10(24-6-4-3-5-7-24)23-11(22-9)25-8(12(14,15)16)13(17,18)19/h8H,2-7H2,1H3,(H,20,21,22,23)
InChIKeyGMHPMLBWQIBNCH-UHFFFAOYSA-N
XLogP3.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
2-(1-Piperazinyl)-4-(1-piperidinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 2826887
N-cyclohexyl-4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3237373
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
2-{[4-(Ethylamino)-6-(piperidin-1-YL)-1,3,5-triazin-2-YL]oxy}acetonitrile
CID 1826712
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
N-cyclohexyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 550625
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-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-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 633000) is N-ethyl-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-ethyl-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-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of N-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GMHPMLBWQIBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N5O/c1-2-20-9-21-10(24-6-4-3-5-7-24)23-11(22-9)25-8(12(14,15)16)13(17,18)19/h8H,2-7H2,1H3,(H,20,21,22,23).
What are the key properties of N-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-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 373.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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 633000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).