[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone

C12H19N3O3 — CID 114022742

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C12H19N3O3/c1-12(2)7-15(4-9(6-16)18-12)11(17)10-5-14(3)8-13-10/h5,8-9,16H,4,6-7H2,1-3H3
InChIKeyGHLKSFUJLYZDGX-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.03
Rot. Bonds2

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 114022742) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID114022742
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C12H19N3O3/c1-12(2)7-15(4-9(6-16)18-12)11(17)10-5-14(3)8-13-10/h5,8-9,16H,4,6-7H2,1-3H3
InChIKeyGHLKSFUJLYZDGX-UHFFFAOYSA-N
XLogP0.03
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
(3-ethyl-1-methylpyrazol-4-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 102810891
(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780099
(2,5-dimethylpyrazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778904
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114821834
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776070
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122961
[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
(1,5-dimethylpyrrol-2-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778641
(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778552

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone (CID 114022742) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CC(CO)OC(C)(C)C2)c1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is GHLKSFUJLYZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2)7-15(4-9(6-16)18-12)11(17)10-5-14(3)8-13-10/h5,8-9,16H,4,6-7H2,1-3H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 114022742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).