2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

C17H25NO2 — CID 112977889

IUPAC2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C17H25NO2/c1-4-15-7-5-6-10-18(15)17(19)12-20-16-9-8-13(2)11-14(16)3/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyLGKJQTDCLIXQQZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.47
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 112977889) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID112977889
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C17H25NO2/c1-4-15-7-5-6-10-18(15)17(19)12-20-16-9-8-13(2)11-14(16)3/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyLGKJQTDCLIXQQZ-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421409
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636107
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
2-(2,4-dimethylphenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030302
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 78801167
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
4-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 5181797
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 119633335
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
1-(2-ethylpiperidin-1-yl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640716

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (CID 112977889) is 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is LGKJQTDCLIXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-15-7-5-6-10-18(15)17(19)12-20-16-9-8-13(2)11-14(16)3/h8-9,11,15H,4-7,10,12H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112977889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).