2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

C15H19Cl2NO2 — CID 17249017

IUPAC2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-2-11-6-3-4-9-18(11)14(19)10-20-13-8-5-7-12(16)15(13)17/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyRAXUPNDSJSLNEA-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.16
Rot. Bonds4

About 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone

2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 17249017) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID17249017
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-2-11-6-3-4-9-18(11)14(19)10-20-13-8-5-7-12(16)15(13)17/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyRAXUPNDSJSLNEA-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
CID 43266232
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304080
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006495
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
2-[(4-chlorophenyl)methyl]-5-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
CID 2152105

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone (CID 17249017) is 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is RAXUPNDSJSLNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-11-6-3-4-9-18(11)14(19)10-20-13-8-5-7-12(16)15(13)17/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 316.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 17249017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).