2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone

C8H13Cl2NO — CID 3528857

IUPAC2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-6-4-2-3-5-11(6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyAVLQNLCOAPPKKN-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.19
Rot. Bonds1

About 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone

2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3528857) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID3528857
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-6-4-2-3-5-11(6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyAVLQNLCOAPPKKN-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.19
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

2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
2,2-dichloro-1-[(2S,5R)-4-(2,2-dichloroacetyl)-2,5-dimethylpiperazin-1-yl]ethanone
CID 840950
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone (CID 3528857) is 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is AVLQNLCOAPPKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-6-4-2-3-5-11(6)8(12)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone?
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 210.10 g/mol, XLogP of 2.19, 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-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3528857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).