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

C15H22N6O — CID 3158768

IUPAC2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESN#CCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H22N6O/c16-7-12-22-15-18-13(20-8-3-1-4-9-20)17-14(19-15)21-10-5-2-6-11-21/h1-6,8-12H2
InChIKeyGOTLTGMWRSQGGQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.75
Rot. Bonds4

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

2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 3158768) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID3158768
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESN#CCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H22N6O/c16-7-12-22-15-18-13(20-8-3-1-4-9-20)17-14(19-15)21-10-5-2-6-11-21/h1-6,8-12H2
InChIKeyGOTLTGMWRSQGGQ-UHFFFAOYSA-N
XLogP1.75
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]acetonitrile?
The IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 3158768) is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile is N#CCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is GOTLTGMWRSQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c16-7-12-22-15-18-13(20-8-3-1-4-9-20)17-14(19-15)21-10-5-2-6-11-21/h1-6,8-12H2.
What are the key properties of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 302.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]acetonitrile is sourced from PubChem (CID 3158768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).