2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C14H21F3N6O — CID 2826887

IUPAC2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(N2CCCCC2)nc(N2CCNCC2)n1
InChIInChI=1S/C14H21F3N6O/c15-14(16,17)10-24-13-20-11(22-6-2-1-3-7-22)19-12(21-13)23-8-4-18-5-9-23/h18H,1-10H2
InChIKeyGGALNTLGAZZKAF-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.21
Rot. Bonds4

About 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 2826887) has the molecular formula C14H21F3N6O and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID2826887
Molecular FormulaC14H21F3N6O
Molecular Weight346.36 g/mol
Exact Mass346.17
IUPAC Name2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(N2CCCCC2)nc(N2CCNCC2)n1
InChIInChI=1S/C14H21F3N6O/c15-14(16,17)10-24-13-20-11(22-6-2-1-3-7-22)19-12(21-13)23-8-4-18-5-9-23/h18H,1-10H2
InChIKeyGGALNTLGAZZKAF-UHFFFAOYSA-N
XLogP1.21
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-4-ethoxy-6-[4-(2-(18F)fluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 137645377
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
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-(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
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine
CID 3541525
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(2-methylpropyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3925517
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3942682
4-(4-{4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-yl}piperazin-1-yl)-N-butyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 4020108
4-(Piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 4020498

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 2826887) is 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(N2CCCCC2)nc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is GGALNTLGAZZKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N6O/c15-14(16,17)10-24-13-20-11(22-6-2-1-3-7-22)19-12(21-13)23-8-4-18-5-9-23/h18H,1-10H2.
What are the key properties of 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 346.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 2826887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).