1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C25H33NO2 — CID 159311247

IUPAC1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCc1ccc(Oc2ccc(C(=O)CC3CC(C)(C)NC(C)(C)C3)cc2)cc1C
InChIInChI=1S/C25H33NO2/c1-17-7-10-22(13-18(17)2)28-21-11-8-20(9-12-21)23(27)14-19-15-24(3,4)26-25(5,6)16-19/h7-13,19,26H,14-16H2,1-6H3
InChIKeyLCONWCYGBUIPEC-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.23
Rot. Bonds5

About 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 159311247) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID159311247
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCc1ccc(Oc2ccc(C(=O)CC3CC(C)(C)NC(C)(C)C3)cc2)cc1C
InChIInChI=1S/C25H33NO2/c1-17-7-10-22(13-18(17)2)28-21-11-8-20(9-12-21)23(27)14-19-15-24(3,4)26-25(5,6)16-19/h7-13,19,26H,14-16H2,1-6H3
InChIKeyLCONWCYGBUIPEC-UHFFFAOYSA-N
XLogP6.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160597039
1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160765326
methyl 5-methoxy-2-[4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzoate
CID 157395801
1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160666035
1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160832655
1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 162127881
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
2-ethyl-6-[2-methyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
CID 159430508
2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone
CID 157264817
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
CID 158066458
1-[4-[(3-pyridin-3-ylphenoxy)methyl]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 159234890
3-chloro-4-hydroxybenzoic acid;1-(3-chloro-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;1-(3-chloro-4-phenoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone;iodobenzene;2,2,6,6-tetramethylpiperidin-4-amine
CID 159153851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 159311247) is 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is Cc1ccc(Oc2ccc(C(=O)CC3CC(C)(C)NC(C)(C)C3)cc2)cc1C.
What is the InChIKey of 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is LCONWCYGBUIPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17-7-10-22(13-18(17)2)28-21-11-8-20(9-12-21)23(27)14-19-15-24(3,4)26-25(5,6)16-19/h7-13,19,26H,14-16H2,1-6H3.
What are the key properties of 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 379.54 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 159311247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).