2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone

C16H24NO2+ — CID 53315205

IUPAC2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)C[N+]2(C)CCOCC2)cc1
InChIInChI=1S/C16H24NO2/c1-13(2)14-4-6-15(7-5-14)16(18)12-17(3)8-10-19-11-9-17/h4-7,13H,8-12H2,1-3H3/q+1
InChIKeyUDINLXGEPWODLK-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone

2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 53315205) has the molecular formula C16H24NO2+ and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID53315205
Molecular FormulaC16H24NO2+
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)C[N+]2(C)CCOCC2)cc1
InChIInChI=1S/C16H24NO2/c1-13(2)14-4-6-15(7-5-14)16(18)12-17(3)8-10-19-11-9-17/h4-7,13H,8-12H2,1-3H3/q+1
InChIKeyUDINLXGEPWODLK-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
CID 3102086
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
2-(1-methylpiperidin-1-ium-1-yl)-1-[4-[2-[4-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]phenyl]ethyl]phenyl]ethanone iodide
CID 54604343
phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone
CID 54360427
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)prop-2-yn-1-one
CID 116825789
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone (CID 53315205) is 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)C[N+]2(C)CCOCC2)cc1.
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is UDINLXGEPWODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO2/c1-13(2)14-4-6-15(7-5-14)16(18)12-17(3)8-10-19-11-9-17/h4-7,13H,8-12H2,1-3H3/q+1.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone?
2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 262.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 53315205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).