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

C15H21F6N5O — CID 3925517

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C15H21F6N5O/c1-9(2)8-22-11-23-12(26-6-4-3-5-7-26)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h9-10H,3-8H2,1-2H3,(H,22,23,24,25)
InChIKeyHJOXAWVGWUACOK-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.80
Rot. Bonds6

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 3925517) has the molecular formula C15H21F6N5O and a molecular weight of 401.36 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID3925517
Molecular FormulaC15H21F6N5O
Molecular Weight401.36 g/mol
Exact Mass401.17
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C15H21F6N5O/c1-9(2)8-22-11-23-12(26-6-4-3-5-7-26)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h9-10H,3-8H2,1-2H3,(H,22,23,24,25)
InChIKeyHJOXAWVGWUACOK-UHFFFAOYSA-N
XLogP3.80
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.80
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-(2-methylpropyl)-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-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 3925517) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HJOXAWVGWUACOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F6N5O/c1-9(2)8-22-11-23-12(26-6-4-3-5-7-26)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h9-10H,3-8H2,1-2H3,(H,22,23,24,25).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 401.36 g/mol, XLogP of 3.80, 6 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-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3925517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).