2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

C16H22ClNO2 — CID 112978935

IUPAC2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-3-13-6-4-5-9-18(13)16(19)11-20-15-10-12(2)7-8-14(15)17/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyFCYUZSSFGDJOSD-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.82
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 112978935) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID112978935
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-3-13-6-4-5-9-18(13)16(19)11-20-15-10-12(2)7-8-14(15)17/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyFCYUZSSFGDJOSD-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 78801167
(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922094
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
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
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119467090
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119468976

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (CID 112978935) is 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is FCYUZSSFGDJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-13-6-4-5-9-18(13)16(19)11-20-15-10-12(2)7-8-14(15)17/h7-8,10,13H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 295.81 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).