1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol

C13H23N3O2 — CID 114283386

IUPAC1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCc1ncc(C(O)C(C)(C)N2CCOCC2)n1C
InChIInChI=1S/C13H23N3O2/c1-10-14-9-11(15(10)4)12(17)13(2,3)16-5-7-18-8-6-16/h9,12,17H,5-8H2,1-4H3
InChIKeyDDEBLGXPAWNQNZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.87
Rot. Bonds3

About 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol

1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol (PubChem CID 114283386) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
PubChem CID114283386
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCc1ncc(C(O)C(C)(C)N2CCOCC2)n1C
InChIInChI=1S/C13H23N3O2/c1-10-14-9-11(15(10)4)12(17)13(2,3)16-5-7-18-8-6-16/h9,12,17H,5-8H2,1-4H3
InChIKeyDDEBLGXPAWNQNZ-UHFFFAOYSA-N
XLogP0.87
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(3-methyltriazol-4-yl)-2-morpholin-4-ylpropan-1-ol
CID 114686567
1-(furan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045813
4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
1-(1-benzothiophen-7-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 81153067
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 106762078
2-methyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79051741
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656691
1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 79045595
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051030

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol (CID 114283386) is 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol is Cc1ncc(C(O)C(C)(C)N2CCOCC2)n1C.
What is the InChIKey of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The InChIKey is DDEBLGXPAWNQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-14-9-11(15(10)4)12(17)13(2,3)16-5-7-18-8-6-16/h9,12,17H,5-8H2,1-4H3.
What are the key properties of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 114283386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).