4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C18H19F6N5O — CID 1381793

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H19F6N5O/c1-11-5-7-12(8-6-11)25-14-26-15(29-9-3-2-4-10-29)28-16(27-14)30-13(17(19,20)21)18(22,23)24/h5-8,13H,2-4,9-10H2,1H3,(H,25,26,27,28)
InChIKeyNVOXLYKXJVZOIE-UHFFFAOYSA-N
MW435.37 g/mol
LogP4.79
Rot. Bonds5

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 1381793) has the molecular formula C18H19F6N5O and a molecular weight of 435.37 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID1381793
Molecular FormulaC18H19F6N5O
Molecular Weight435.37 g/mol
Exact Mass435.15
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H19F6N5O/c1-11-5-7-12(8-6-11)25-14-26-15(29-9-3-2-4-10-29)28-16(27-14)30-13(17(19,20)21)18(22,23)24/h5-8,13H,2-4,9-10H2,1H3,(H,25,26,27,28)
InChIKeyNVOXLYKXJVZOIE-UHFFFAOYSA-N
XLogP4.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 1381793) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NVOXLYKXJVZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N5O/c1-11-5-7-12(8-6-11)25-14-26-15(29-9-3-2-4-10-29)28-16(27-14)30-13(17(19,20)21)18(22,23)24/h5-8,13H,2-4,9-10H2,1H3,(H,25,26,27,28).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 435.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1381793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).