1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone

C15H20ClNO — CID 3325837

IUPAC1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-2-12-7-5-6-10-17(12)11-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyAZWYKQVSYKVSET-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.79
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone

1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 3325837) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID3325837
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-2-12-7-5-6-10-17(12)11-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyAZWYKQVSYKVSET-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104690677
2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
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1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
1-(2-ethoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635347
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886074
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 110654615

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 3325837) is 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is AZWYKQVSYKVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-12-7-5-6-10-17(12)11-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,12H,2,5-7,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 265.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3325837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).