1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone

C15H19Cl2NO — CID 43794680

IUPAC1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NO/c1-10-4-3-5-11(2)18(10)9-15(19)13-8-12(16)6-7-14(13)17/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyBUSGRKNPHTVZJQ-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.44
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone

1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 43794680) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID43794680
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NO/c1-10-4-3-5-11(2)18(10)9-15(19)13-8-12(16)6-7-14(13)17/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyBUSGRKNPHTVZJQ-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967877
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 63567177
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82050124
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
2-(2,5-dichlorophenyl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3497749
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one
CID 62053397
N-(2,5-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654001
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936015
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone (CID 43794680) is 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is BUSGRKNPHTVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-10-4-3-5-11(2)18(10)9-15(19)13-8-12(16)6-7-14(13)17/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone?
1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 300.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43794680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).