1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone

C19H19F6N5O2 — CID 3919481

IUPAC1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H19F6N5O2/c1-11(31)12-5-7-13(8-6-12)26-15-27-16(30-9-3-2-4-10-30)29-17(28-15)32-14(18(20,21)22)19(23,24)25/h5-8,14H,2-4,9-10H2,1H3,(H,26,27,28,29)
InChIKeyHIRGXIVSIRHWNQ-UHFFFAOYSA-N
MW463.38 g/mol
LogP4.68
Rot. Bonds6

About 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone

1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone (PubChem CID 3919481) has the molecular formula C19H19F6N5O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
PubChem CID3919481
Molecular FormulaC19H19F6N5O2
Molecular Weight463.38 g/mol
Exact Mass463.14
IUPAC Name1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H19F6N5O2/c1-11(31)12-5-7-13(8-6-12)26-15-27-16(30-9-3-2-4-10-30)29-17(28-15)32-14(18(20,21)22)19(23,24)25/h5-8,14H,2-4,9-10H2,1H3,(H,26,27,28,29)
InChIKeyHIRGXIVSIRHWNQ-UHFFFAOYSA-N
XLogP4.68
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone (CID 3919481) is 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The InChIKey is HIRGXIVSIRHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N5O2/c1-11(31)12-5-7-13(8-6-12)26-15-27-16(30-9-3-2-4-10-30)29-17(28-15)32-14(18(20,21)22)19(23,24)25/h5-8,14H,2-4,9-10H2,1H3,(H,26,27,28,29).
What are the key properties of 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone has a molecular weight of 463.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 3919481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).