4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile

C15H20N2O2 — CID 128977436

IUPAC4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
SMILESCOCC1CN(c2ccc(C#N)cc2)CC(C)(C)O1
InChIInChI=1S/C15H20N2O2/c1-15(2)11-17(9-14(19-15)10-18-3)13-6-4-12(8-16)5-7-13/h4-7,14H,9-11H2,1-3H3
InChIKeyUTKSCPJGSNXLTR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds3

About 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile

4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile (PubChem CID 128977436) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
PubChem CID128977436
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
SMILESCOCC1CN(c2ccc(C#N)cc2)CC(C)(C)O1
InChIInChI=1S/C15H20N2O2/c1-15(2)11-17(9-14(19-15)10-18-3)13-6-4-12(8-16)5-7-13/h4-7,14H,9-11H2,1-3H3
InChIKeyUTKSCPJGSNXLTR-UHFFFAOYSA-N
XLogP2.19
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853
3-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzonitrile
CID 129485781
(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484815
6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 128971158
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 129350244
4-(6-ethoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128977458
2-fluoro-5-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzonitrile
CID 129482269
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(1,6-naphthyridin-4-yl)morpholine
CID 129482266
6-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 128977424
4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128977443
(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484949
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
The IUPAC name of 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile (CID 128977436) is 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
The canonical SMILES for 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile is COCC1CN(c2ccc(C#N)cc2)CC(C)(C)O1.
What is the InChIKey of 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
The InChIKey is UTKSCPJGSNXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)11-17(9-14(19-15)10-18-3)13-6-4-12(8-16)5-7-13/h4-7,14H,9-11H2,1-3H3.
What are the key properties of 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile is sourced from PubChem (CID 128977436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).