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

C11H17F2N5O — CID 82009103

IUPAC4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C11H17F2N5O/c1-14-9-15-10(18-5-3-2-4-6-18)17-11(16-9)19-7-8(12)13/h8H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyFGWUCJFLAGEVMF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.55
Rot. Bonds5

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

4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 82009103) has the molecular formula C11H17F2N5O and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID82009103
Molecular FormulaC11H17F2N5O
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC Name4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C11H17F2N5O/c1-14-9-15-10(18-5-3-2-4-6-18)17-11(16-9)19-7-8(12)13/h8H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyFGWUCJFLAGEVMF-UHFFFAOYSA-N
XLogP1.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.55
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-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 82009103) is 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(OCC(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FGWUCJFLAGEVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5O/c1-14-9-15-10(18-5-3-2-4-6-18)17-11(16-9)19-7-8(12)13/h8H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of 4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 1.55, 5 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-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82009103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).