2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

C16H22ClNO2 — CID 4051969

IUPAC2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H22ClNO2/c1-3-14-6-4-5-9-18(14)16(19)11-20-15-8-7-13(17)10-12(15)2/h7-8,10,14H,3-6,9,11H2,1-2H3
InChIKeyJOXUTQHXVZYZDF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 4051969) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID4051969
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H22ClNO2/c1-3-14-6-4-5-9-18(14)16(19)11-20-15-8-7-13(17)10-12(15)2/h7-8,10,14H,3-6,9,11H2,1-2H3
InChIKeyJOXUTQHXVZYZDF-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

4-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 5181797
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421409
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636107
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 78801167
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 9156731
2-(2,4-dimethylphenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030302

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (CID 4051969) is 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is JOXUTQHXVZYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-14-6-4-5-9-18(14)16(19)11-20-15-8-7-13(17)10-12(15)2/h7-8,10,14H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(4-chloro-2-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-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4051969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).