N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C11H16F3N5O — CID 5138987

IUPACN-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16F3N5O/c1-15-8-16-9(19-5-3-2-4-6-19)18-10(17-8)20-7-11(12,13)14/h2-7H2,1H3,(H,15,16,17,18)
InChIKeyKJUAIHZUIRAJPB-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 5138987) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID5138987
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16F3N5O/c1-15-8-16-9(19-5-3-2-4-6-19)18-10(17-8)20-7-11(12,13)14/h2-7H2,1H3,(H,15,16,17,18)
InChIKeyKJUAIHZUIRAJPB-UHFFFAOYSA-N
XLogP1.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
N-cyclopentyl-4-ethoxy-6-[4-(2-(18F)fluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 137645377
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
6-piperidin-1-yl-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 178294349
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
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
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
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-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 5138987) is N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CNc1nc(OCC(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is KJUAIHZUIRAJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-15-8-16-9(19-5-3-2-4-6-19)18-10(17-8)20-7-11(12,13)14/h2-7H2,1H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 5138987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).