1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

C14H26N2O3 — CID 102788941

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(C)C2CO)CC(C)O1
InChIInChI=1S/C14H26N2O3/c1-10-4-5-15(13(10)9-17)8-14(18)16-6-11(2)19-12(3)7-16/h10-13,17H,4-9H2,1-3H3
InChIKeyIPJWPHWTKLJODL-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.32
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 102788941) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID102788941
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(C)C2CO)CC(C)O1
InChIInChI=1S/C14H26N2O3/c1-10-4-5-15(13(10)9-17)8-14(18)16-6-11(2)19-12(3)7-16/h10-13,17H,4-9H2,1-3H3
InChIKeyIPJWPHWTKLJODL-UHFFFAOYSA-N
XLogP0.32
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 102788941) is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is CC1CN(C(=O)CN2CCC(C)C2CO)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is IPJWPHWTKLJODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-4-5-15(13(10)9-17)8-14(18)16-6-11(2)19-12(3)7-16/h10-13,17H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 270.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102788941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).