2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone

C9H15Cl2NO — CID 3699318

IUPAC2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-6-4-3-5-7(2)12(6)9(13)8(10)11/h6-8H,3-5H2,1-2H3
InChIKeyKNWPSXDMECMDOF-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.58
Rot. Bonds1

About 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone

2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 3699318) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID3699318
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-6-4-3-5-7(2)12(6)9(13)8(10)11/h6-8H,3-5H2,1-2H3
InChIKeyKNWPSXDMECMDOF-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2,2-dichloro-1-[(2S,5R)-4-(2,2-dichloroacetyl)-2,5-dimethylpiperazin-1-yl]ethanone
CID 840950
2-bromo-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butan-1-one
CID 104967100
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928383
1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
CID 5143900
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]propanoic acid
CID 104967956
2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone
CID 167903171
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 3699318) is 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is KNWPSXDMECMDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-6-4-3-5-7(2)12(6)9(13)8(10)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 224.13 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3699318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).