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

C14H25NO4 — CID 114778309

IUPAC1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCCO2)CC(CO)O1
InChIInChI=1S/C14H25NO4/c1-14(2)10-15(8-12(9-16)19-14)13(17)7-11-5-3-4-6-18-11/h11-12,16H,3-10H2,1-2H3
InChIKeyLUSDCENQADODLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.94
Rot. Bonds3

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

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone (PubChem CID 114778309) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
PubChem CID114778309
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCCO2)CC(CO)O1
InChIInChI=1S/C14H25NO4/c1-14(2)10-15(8-12(9-16)19-14)13(17)7-11-5-3-4-6-18-11/h11-12,16H,3-10H2,1-2H3
InChIKeyLUSDCENQADODLD-UHFFFAOYSA-N
XLogP0.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114781501
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557199
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyloxolan-2-yl)methanone
CID 114778389
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-cyclopropylethanone
CID 114781655
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
CID 120805402

Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone (CID 114778309) is 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone is CC1(C)CN(C(=O)CC2CCCCO2)CC(CO)O1.
What is the InChIKey of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is LUSDCENQADODLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2)10-15(8-12(9-16)19-14)13(17)7-11-5-3-4-6-18-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 114778309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).