4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one

C13H24N2O3 — CID 114779780

IUPAC4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one
SMILESCC1(C)CN(C2CCCNC(=O)C2)CC(CO)O1
InChIInChI=1S/C13H24N2O3/c1-13(2)9-15(7-11(8-16)18-13)10-4-3-5-14-12(17)6-10/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyULOTYWLDRVDFIY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds2

About 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one (PubChem CID 114779780) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one
PubChem CID114779780
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one
SMILESCC1(C)CN(C2CCCNC(=O)C2)CC(CO)O1
InChIInChI=1S/C13H24N2O3/c1-13(2)9-15(7-11(8-16)18-13)10-4-3-5-14-12(17)6-10/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyULOTYWLDRVDFIY-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6,6-dimethyl-4-piperidin-4-ylmorpholin-2-yl)methanol
CID 114782622
[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol
CID 114779904
[4-(3-ethylcyclohexyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779892
4-(3-hydroxyazetidin-1-yl)azepan-2-one
CID 63888892
4-(3,4-dihydroxypyrrolidin-1-yl)azepan-2-one
CID 106673017
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
4-(3-piperazin-1-ylazetidin-1-yl)azepan-2-one
CID 66196759
[6,6-dimethyl-4-(piperidin-3-ylmethyl)morpholin-2-yl]methanol
CID 114782619
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610
4-[2-(hydroxymethyl)piperidin-1-yl]azepan-2-one
CID 63887904
3-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 114779631
4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
CID 115302335

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one?
The IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one (CID 114779780) is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one.
What is the SMILES notation for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one?
The canonical SMILES for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one is CC1(C)CN(C2CCCNC(=O)C2)CC(CO)O1.
What is the InChIKey of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one?
The InChIKey is ULOTYWLDRVDFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2)9-15(7-11(8-16)18-13)10-4-3-5-14-12(17)6-10/h10-11,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one?
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one is sourced from PubChem (CID 114779780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).