1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one

C15H22N2O3 — CID 114779032

IUPAC1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESCC1(C)CN(C(=O)CCc2ccncc2)CC(CO)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-17(9-13(10-18)20-15)14(19)4-3-12-5-7-16-8-6-12/h5-8,13,18H,3-4,9-11H2,1-2H3
InChIKeyVAUBTFIADZVZDS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.01
Rot. Bonds4

About 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 114779032) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID114779032
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESCC1(C)CN(C(=O)CCc2ccncc2)CC(CO)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-17(9-13(10-18)20-15)14(19)4-3-12-5-7-16-8-6-12/h5-8,13,18H,3-4,9-11H2,1-2H3
InChIKeyVAUBTFIADZVZDS-UHFFFAOYSA-N
XLogP1.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114778639
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
4-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]benzonitrile
CID 114776845
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 114778877
2-(3-bromophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114778963
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 129485565
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753478
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165

Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one (CID 114779032) is 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one is CC1(C)CN(C(=O)CCc2ccncc2)CC(CO)O1.
What is the InChIKey of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is VAUBTFIADZVZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)11-17(9-13(10-18)20-15)14(19)4-3-12-5-7-16-8-6-12/h5-8,13,18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.01, 4 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]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 114779032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).