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

C14H20N6O2 — CID 2231656

IUPAC2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H20N6O2/c15-4-9-22-14-17-12(19-5-2-1-3-6-19)16-13(18-14)20-7-10-21-11-8-20/h1-3,5-11H2
InChIKeyNRVVEUJYBHDBIJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.60
Rot. Bonds4

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

2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 2231656) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID2231656
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H20N6O2/c15-4-9-22-14-17-12(19-5-2-1-3-6-19)16-13(18-14)20-7-10-21-11-8-20/h1-3,5-11H2
InChIKeyNRVVEUJYBHDBIJ-UHFFFAOYSA-N
XLogP0.60
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 2231656) is 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is N#CCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is NRVVEUJYBHDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c15-4-9-22-14-17-12(19-5-2-1-3-6-19)16-13(18-14)20-7-10-21-11-8-20/h1-3,5-11H2.
What are the key properties of 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 304.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 2231656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).