1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

C17H25NO2 — CID 102744768

IUPAC1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)CN(CCC(=O)c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C17H25NO2/c1-16(2)12-18(13-17(3,4)20-16)11-10-15(19)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyFKRDGUQFBUMCRL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.15
Rot. Bonds4

About 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (PubChem CID 102744768) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
PubChem CID102744768
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)CN(CCC(=O)c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C17H25NO2/c1-16(2)12-18(13-17(3,4)20-16)11-10-15(19)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyFKRDGUQFBUMCRL-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one 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

3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoic acid
CID 102744515
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102744717
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one
CID 125140300
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (CID 102744768) is 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is CC1(C)CN(CCC(=O)c2ccccc2)CC(C)(C)O1.
What is the InChIKey of 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The InChIKey is FKRDGUQFBUMCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)12-18(13-17(3,4)20-16)11-10-15(19)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3.
What are the key properties of 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 102744768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).