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

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

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Related Compounds

4-Ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 729558
{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
{[4-(Tert-butylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2990868
(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 3158768
2,4-Diethoxy-6-(4-methyl-piperidin-1-yl)-[1,3,5]triazine
CID 646455
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
2-{[4-(Ethylamino)-6-(piperidin-1-YL)-1,3,5-triazin-2-YL]oxy}acetonitrile
CID 1826712
2-Chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 5150976
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
2-(Piperidin-1-yl)-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine
CID 4332938
2,4-Dimethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 816732

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).