2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone

C8H13Cl2NO — CID 4274990

IUPAC2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C8H13Cl2NO/c1-6-2-4-11(5-3-6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyODFLUHFBCBMTNP-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.05
Rot. Bonds1

About 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone

2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 4274990) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID4274990
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C8H13Cl2NO/c1-6-2-4-11(5-3-6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyODFLUHFBCBMTNP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 4048767
2-Chloro-1-(4-methylpiperidin-1-yl)ethan-1-one
CID 4116926
1-Propanone, 2-chloro-1-(4-methyl-1-piperidinyl)-
CID 5155622
2-Chloro-1-(piperidin-1-yl)propan-1-one
CID 3282976
2,2-Dichloro-1-(piperidin-1-yl)ethanone
CID 243215
1-[4-(Chloromethyl)piperidin-1-yl]ethan-1-one
CID 26793140
2-Chloro-1-[4-(trifluoromethyl)piperidin-1-yl]ethan-1-one
CID 65534253
2-Chloro-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 65534835
2-Chloro-1-(4-(fluoromethyl)piperidin-1-yl)ethan-1-one
CID 121200914
2-Chloro-1-(4-(fluoromethyl)piperidin-1-yl)propan-1-one
CID 121200915
2-Chloro-1-(4-(fluoromethyl)piperidin-1-yl)butan-1-one
CID 121200916
2-Chloro-1-(3-(fluoromethyl)piperidin-1-yl)ethan-1-one
CID 121200954

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone (CID 4274990) is 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)C(Cl)Cl)CC1.
What is the InChIKey of 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ODFLUHFBCBMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-6-2-4-11(5-3-6)8(12)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone?
2,2-dichloro-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 210.10 g/mol, XLogP of 2.05, 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-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4274990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).