3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one

C16H23NO2 — CID 55094936

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
SMILESCC1CN(CC(C)C(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C16H23NO2/c1-12(16(18)15-7-5-4-6-8-15)9-17-10-13(2)19-14(3)11-17/h4-8,12-14H,9-11H2,1-3H3
InChIKeyPRXUNOOSAKPLPB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one

3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one (PubChem CID 55094936) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
PubChem CID55094936
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
SMILESCC1CN(CC(C)C(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C16H23NO2/c1-12(16(18)15-7-5-4-6-8-15)9-17-10-13(2)19-14(3)11-17/h4-8,12-14H,9-11H2,1-3H3
InChIKeyPRXUNOOSAKPLPB-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone
CID 19374751
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one (CID 55094936) is 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one is CC1CN(CC(C)C(=O)c2ccccc2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one?
The InChIKey is PRXUNOOSAKPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(16(18)15-7-5-4-6-8-15)9-17-10-13(2)19-14(3)11-17/h4-8,12-14H,9-11H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one?
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 55094936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).