1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone

C15H20ClNO2 — CID 61216135

IUPAC1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-14-7-9-17(10-8-14)11-15(18)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyFRWBBBHXEMNZAR-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone

1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone (PubChem CID 61216135) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
PubChem CID61216135
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-14-7-9-17(10-8-14)11-15(18)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyFRWBBBHXEMNZAR-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
CID 103535548
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
CID 62612812
2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61219184
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110358781
4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110358821
1-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82016086
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110358779
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61216852
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone (CID 61216135) is 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone is CCOC1CCN(CC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
The InChIKey is FRWBBBHXEMNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-14-7-9-17(10-8-14)11-15(18)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 61216135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).