2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate

C15H22N5O3- — CID 7407750

IUPAC2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate
SMILESO=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H23N5O3/c21-12(22)11-23-15-17-13(19-7-3-1-4-8-19)16-14(18-15)20-9-5-2-6-10-20/h1-11H2,(H,21,22)/p-1
InChIKeyRISUWRHELWVNTM-UHFFFAOYSA-M
MW320.37 g/mol
LogP-0.02
Rot. Bonds5

About 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate

2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate (PubChem CID 7407750) has the molecular formula C15H22N5O3- and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate
PubChem CID7407750
Molecular FormulaC15H22N5O3-
Molecular Weight320.37 g/mol
Exact Mass320.17
IUPAC Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate
SMILESO=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H23N5O3/c21-12(22)11-23-15-17-13(19-7-3-1-4-8-19)16-14(18-15)20-9-5-2-6-10-20/h1-11H2,(H,21,22)/p-1
InChIKeyRISUWRHELWVNTM-UHFFFAOYSA-M
XLogP-0.02
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate?
The IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate (CID 7407750) is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate.
What is the SMILES notation for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate?
The canonical SMILES for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate is O=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate?
The InChIKey is RISUWRHELWVNTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23N5O3/c21-12(22)11-23-15-17-13(19-7-3-1-4-8-19)16-14(18-15)20-9-5-2-6-10-20/h1-11H2,(H,21,22)/p-1.
What are the key properties of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate?
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate has a molecular weight of 320.37 g/mol, XLogP of -0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetate is sourced from PubChem (CID 7407750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).