4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H19F2N5O — CID 82009717

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19F2N5O/c1-2-15-10-16-11(19-6-4-3-5-7-19)18-12(17-10)20-8-9(13)14/h9H,2-8H2,1H3,(H,15,16,17,18)
InChIKeyCPYCUEFZKGDPGL-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.94
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 82009717) has the molecular formula C12H19F2N5O and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID82009717
Molecular FormulaC12H19F2N5O
Molecular Weight287.31 g/mol
Exact Mass287.16
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19F2N5O/c1-2-15-10-16-11(19-6-4-3-5-7-19)18-12(17-10)20-8-9(13)14/h9H,2-8H2,1H3,(H,15,16,17,18)
InChIKeyCPYCUEFZKGDPGL-UHFFFAOYSA-N
XLogP1.94
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 82009717) is 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OCC(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CPYCUEFZKGDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5O/c1-2-15-10-16-11(19-6-4-3-5-7-19)18-12(17-10)20-8-9(13)14/h9H,2-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 287.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82009717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).