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

C15H21F6N5O — CID 3942687

IUPACN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C15H21F6N5O/c1-13(2,3)25-10-22-11(26-7-5-4-6-8-26)24-12(23-10)27-9(14(16,17)18)15(19,20)21/h9H,4-8H2,1-3H3,(H,22,23,24,25)
InChIKeyWXDDAFQGMCMZHK-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.94
Rot. Bonds4

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

N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 3942687) has the molecular formula C15H21F6N5O and a molecular weight of 401.36 g/mol. Its IUPAC name is N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID3942687
Molecular FormulaC15H21F6N5O
Molecular Weight401.36 g/mol
Exact Mass401.17
IUPAC NameN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C15H21F6N5O/c1-13(2,3)25-10-22-11(26-7-5-4-6-8-26)24-12(23-10)27-9(14(16,17)18)15(19,20)21/h9H,4-8H2,1-3H3,(H,22,23,24,25)
InChIKeyWXDDAFQGMCMZHK-UHFFFAOYSA-N
XLogP3.94
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-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-(Tert-butylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2990868
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
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
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1113192
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
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827458
4-(azepan-1-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-propyl-1,3,5-triazin-2-amine
CID 3251709
4-(1-Piperazinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3953767
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-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-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 3942687) is N-tert-butyl-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-tert-butyl-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-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WXDDAFQGMCMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F6N5O/c1-13(2,3)25-10-22-11(26-7-5-4-6-8-26)24-12(23-10)27-9(14(16,17)18)15(19,20)21/h9H,4-8H2,1-3H3,(H,22,23,24,25).
What are the key properties of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-tert-butyl-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 401.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-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 3942687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).