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

C18H19F6N5O — CID 58039451

IUPACN-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(Cc2cccc(C(F)(F)F)c2)nc(NC2CCNCC2)n1
InChIInChI=1S/C18H19F6N5O/c19-17(20,21)10-30-16-28-14(9-11-2-1-3-12(8-11)18(22,23)24)27-15(29-16)26-13-4-6-25-7-5-13/h1-3,8,13,25H,4-7,9-10H2,(H,26,27,28,29)
InChIKeyVLQWUGCOQHZVMA-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.59
Rot. Bonds6

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

N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58039451) has the molecular formula C18H19F6N5O and a molecular weight of 435.37 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58039451
Molecular FormulaC18H19F6N5O
Molecular Weight435.37 g/mol
Exact Mass435.15
IUPAC NameN-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(Cc2cccc(C(F)(F)F)c2)nc(NC2CCNCC2)n1
InChIInChI=1S/C18H19F6N5O/c19-17(20,21)10-30-16-28-14(9-11-2-1-3-12(8-11)18(22,23)24)27-15(29-16)26-13-4-6-25-7-5-13/h1-3,8,13,25H,4-7,9-10H2,(H,26,27,28,29)
InChIKeyVLQWUGCOQHZVMA-UHFFFAOYSA-N
XLogP3.59
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]pyrrolidin-3-one
CID 58039879
2-[2-(1H-inden-5-yl)ethyl]-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040309
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
3,5-dimethyl-4-[4-[[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]piperidin-1-yl]sulfonyl-1,2-oxazole
CID 58040208
2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 87237426
3-methyl-6-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 87237308
ethyl 4-[3-[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]benzoyl]piperazine-1-carboxylate
CID 58040230
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
3-[[4-ethoxy-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]methyl]benzamide
CID 91245049
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 67016013
tert-butyl N-(3-chloro-4-fluorophenyl)-N-[4-(piperidin-4-ylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamate
CID 67016072

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58039451) is N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(Cc2cccc(C(F)(F)F)c2)nc(NC2CCNCC2)n1.
What is the InChIKey of N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is VLQWUGCOQHZVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N5O/c19-17(20,21)10-30-16-28-14(9-11-2-1-3-12(8-11)18(22,23)24)27-15(29-16)26-13-4-6-25-7-5-13/h1-3,8,13,25H,4-7,9-10H2,(H,26,27,28,29).
What are the key properties of N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 435.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).