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

C11H15N5O2 — CID 4918510

IUPAC2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESCOc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15N5O2/c1-17-10-13-9(16-6-3-2-4-7-16)14-11(15-10)18-8-5-12/h2-4,6-8H2,1H3
InChIKeyIUOVORCSXJJAFE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.77
Rot. Bonds4

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

2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 4918510) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID4918510
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESCOc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15N5O2/c1-17-10-13-9(16-6-3-2-4-7-16)14-11(15-10)18-8-5-12/h2-4,6-8H2,1H3
InChIKeyIUOVORCSXJJAFE-UHFFFAOYSA-N
XLogP0.77
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 4918510) is 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is COc1nc(OCC#N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is IUOVORCSXJJAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-17-10-13-9(16-6-3-2-4-7-16)14-11(15-10)18-8-5-12/h2-4,6-8H2,1H3.
What are the key properties of 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 249.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 4918510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).