2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone

C13H24N2O4 — CID 114779666

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
SMILESCC1(C)CN(CC(=O)N2CCOCC2)CC(CO)O1
InChIInChI=1S/C13H24N2O4/c1-13(2)10-14(7-11(9-16)19-13)8-12(17)15-3-5-18-6-4-15/h11,16H,3-10H2,1-2H3
InChIKeyNZXQHCWWHWFLED-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.68
Rot. Bonds3

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 114779666) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
PubChem CID114779666
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
SMILESCC1(C)CN(CC(=O)N2CCOCC2)CC(CO)O1
InChIInChI=1S/C13H24N2O4/c1-13(2)10-14(7-11(9-16)19-13)8-12(17)15-3-5-18-6-4-15/h11,16H,3-10H2,1-2H3
InChIKeyNZXQHCWWHWFLED-UHFFFAOYSA-N
XLogP-0.68
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 114779696
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 114779881
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 114779721
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 114777452
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
CID 114779668
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
CID 114779883
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 114778269
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone (CID 114779666) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone is CC1(C)CN(CC(=O)N2CCOCC2)CC(CO)O1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is NZXQHCWWHWFLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2)10-14(7-11(9-16)19-13)8-12(17)15-3-5-18-6-4-15/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 272.35 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 114779666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).