2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone

C14H26N2O4 — CID 114779881

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CC(CO)OC(C)(C)C2)CCO1
InChIInChI=1S/C14H26N2O4/c1-11-6-16(4-5-19-11)13(18)8-15-7-12(9-17)20-14(2,3)10-15/h11-12,17H,4-10H2,1-3H3
InChIKeyIESOXOMKFRHLHE-UHFFFAOYSA-N
MW286.37 g/mol
LogP-0.29
Rot. Bonds3

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 114779881) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID114779881
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CC(CO)OC(C)(C)C2)CCO1
InChIInChI=1S/C14H26N2O4/c1-11-6-16(4-5-19-11)13(18)8-15-7-12(9-17)20-14(2,3)10-15/h11-12,17H,4-10H2,1-3H3
InChIKeyIESOXOMKFRHLHE-UHFFFAOYSA-N
XLogP-0.29
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
CID 114779666
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 114779696
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137530
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62015912
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 114779881) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CC(CO)OC(C)(C)C2)CCO1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is IESOXOMKFRHLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11-6-16(4-5-19-11)13(18)8-15-7-12(9-17)20-14(2,3)10-15/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 286.37 g/mol, XLogP of -0.29, 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-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 114779881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).