1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol

C22H20F6N6O — CID 160882221

IUPAC1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C22H20F6N6O/c23-21(24,25)13-3-1-5-15(11-13)29-18-31-19(30-16-6-2-4-14(12-16)22(26,27)28)33-20(32-18)34-9-7-17(35)8-10-34/h1-6,11-12,17,35H,7-10H2,(H2,29,30,31,32,33)
InChIKeySNEKRYAJCIIOFO-UHFFFAOYSA-N
MW498.43 g/mol
LogP5.36
Rot. Bonds5

About 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol

1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol (PubChem CID 160882221) has the molecular formula C22H20F6N6O and a molecular weight of 498.43 g/mol. Its IUPAC name is 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol
PubChem CID160882221
Molecular FormulaC22H20F6N6O
Molecular Weight498.43 g/mol
Exact Mass498.16
IUPAC Name1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C22H20F6N6O/c23-21(24,25)13-3-1-5-15(11-13)29-18-31-19(30-16-6-2-4-14(12-16)22(26,27)28)33-20(32-18)34-9-7-17(35)8-10-34/h1-6,11-12,17,35H,7-10H2,(H2,29,30,31,32,33)
InChIKeySNEKRYAJCIIOFO-UHFFFAOYSA-N
XLogP5.36
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.43
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1089222
4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 3236802
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
CID 24747175
(4-Methoxy-6-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 653671
2-({4-[(3-Methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3141863
N,N'-bis(3-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1327302
6-(4-benzylpiperazin-1-yl)-N2,N4-bis(3,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 44408571
1,3,5-Triazine, 2-benzylamino-4-(4-fluorophenylamino)-6-(4-morpholyl)-
CID 633282
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1381793
N-(4-fluorophenyl)-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827462
N-Pentyl-6-(2,2,2-trifluoroethoxy)-N'-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039693

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol (CID 160882221) is 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol is OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol?
The InChIKey is SNEKRYAJCIIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N6O/c23-21(24,25)13-3-1-5-15(11-13)29-18-31-19(30-16-6-2-4-14(12-16)22(26,27)28)33-20(32-18)34-9-7-17(35)8-10-34/h1-6,11-12,17,35H,7-10H2,(H2,29,30,31,32,33).
What are the key properties of 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol?
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol has a molecular weight of 498.43 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 160882221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).