1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C11H19NO5 — CID 102934254

IUPAC1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2COCCO2)CC(CO)O1
InChIInChI=1S/C11H19NO5/c1-8-4-12(5-9(6-13)17-8)11(14)10-7-15-2-3-16-10/h8-10,13H,2-7H2,1H3
InChIKeyYNIPSAZTWQTLIB-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.99
Rot. Bonds2

About 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934254) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934254
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2COCCO2)CC(CO)O1
InChIInChI=1S/C11H19NO5/c1-8-4-12(5-9(6-13)17-8)11(14)10-7-15-2-3-16-10/h8-10,13H,2-7H2,1H3
InChIKeyYNIPSAZTWQTLIB-UHFFFAOYSA-N
XLogP-0.99
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937670
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
CID 81211074
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98787381

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934254) is 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)C2COCCO2)CC(CO)O1.
What is the InChIKey of 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is YNIPSAZTWQTLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8-4-12(5-9(6-13)17-8)11(14)10-7-15-2-3-16-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 245.27 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).