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

C22H22F3N5O — CID 1070581

IUPACN,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H22F3N5O/c23-22(24,25)16-31-21-27-19(29-14-8-3-9-15-29)26-20(28-21)30(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyVGIWCQVTIHAINV-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.27
Rot. Bonds6

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

N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 1070581) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID1070581
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC NameN,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H22F3N5O/c23-22(24,25)16-31-21-27-19(29-14-8-3-9-15-29)26-20(28-21)30(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyVGIWCQVTIHAINV-UHFFFAOYSA-N
XLogP5.27
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 1070581) is N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is VGIWCQVTIHAINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c23-22(24,25)16-31-21-27-19(29-14-8-3-9-15-29)26-20(28-21)30(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2.
What are the key properties of N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 429.45 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1070581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).