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

C12H15F6N5O — CID 3942682

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H15F6N5O/c1-19-8-20-9(23-5-3-2-4-6-23)22-10(21-8)24-7(11(13,14)15)12(16,17)18/h7H,2-6H2,1H3,(H,19,20,21,22)
InChIKeyJGMBCPIXUZRLQE-UHFFFAOYSA-N
MW359.27 g/mol
LogP2.78
Rot. Bonds4

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 3942682) has the molecular formula C12H15F6N5O and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID3942682
Molecular FormulaC12H15F6N5O
Molecular Weight359.27 g/mol
Exact Mass359.12
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H15F6N5O/c1-19-8-20-9(23-5-3-2-4-6-23)22-10(21-8)24-7(11(13,14)15)12(16,17)18/h7H,2-6H2,1H3,(H,19,20,21,22)
InChIKeyJGMBCPIXUZRLQE-UHFFFAOYSA-N
XLogP2.78
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 52.78
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-methyl-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-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 3942682) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-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-methyl-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-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is 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-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JGMBCPIXUZRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6N5O/c1-19-8-20-9(23-5-3-2-4-6-23)22-10(21-8)24-7(11(13,14)15)12(16,17)18/h7H,2-6H2,1H3,(H,19,20,21,22).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 359.27 g/mol, XLogP of 2.78, 4 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-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3942682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).