4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

C11H15F4N5O — CID 80843345

IUPAC4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCC(F)(F)C(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15F4N5O/c12-7(13)11(14,15)6-21-10-18-8(16)17-9(19-10)20-4-2-1-3-5-20/h7H,1-6H2,(H2,16,17,18,19)
InChIKeyPCWKVSUNPSOLGY-UHFFFAOYSA-N
MW309.27 g/mol
LogP1.72
Rot. Bonds5

About 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80843345) has the molecular formula C11H15F4N5O and a molecular weight of 309.27 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80843345
Molecular FormulaC11H15F4N5O
Molecular Weight309.27 g/mol
Exact Mass309.12
IUPAC Name4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCC(F)(F)C(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15F4N5O/c12-7(13)11(14,15)6-21-10-18-8(16)17-9(19-10)20-4-2-1-3-5-20/h7H,1-6H2,(H2,16,17,18,19)
InChIKeyPCWKVSUNPSOLGY-UHFFFAOYSA-N
XLogP1.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 80843345) is 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is Nc1nc(OCC(F)(F)C(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is PCWKVSUNPSOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N5O/c12-7(13)11(14,15)6-21-10-18-8(16)17-9(19-10)20-4-2-1-3-5-20/h7H,1-6H2,(H2,16,17,18,19).
What are the key properties of 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 309.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80843345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).