3,3-dichloro-1-(3-iodophenyl)piperidin-2-one

C11H10Cl2INO — CID 171523182

IUPAC3,3-dichloro-1-(3-iodophenyl)piperidin-2-one
SMILESO=C1N(c2cccc(I)c2)CCCC1(Cl)Cl
InChIInChI=1S/C11H10Cl2INO/c12-11(13)5-2-6-15(10(11)16)9-4-1-3-8(14)7-9/h1,3-4,7H,2,5-6H2
InChIKeyOXLKQDBTHYCCLZ-UHFFFAOYSA-N
MW370.02 g/mol
LogP3.59
Rot. Bonds1

About 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one

3,3-dichloro-1-(3-iodophenyl)piperidin-2-one (PubChem CID 171523182) has the molecular formula C11H10Cl2INO and a molecular weight of 370.02 g/mol. Its IUPAC name is 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one.

Molecular Properties

Compound Name3,3-dichloro-1-(3-iodophenyl)piperidin-2-one
PubChem CID171523182
Molecular FormulaC11H10Cl2INO
Molecular Weight370.02 g/mol
Exact Mass368.92
IUPAC Name3,3-dichloro-1-(3-iodophenyl)piperidin-2-one
SMILESO=C1N(c2cccc(I)c2)CCCC1(Cl)Cl
InChIInChI=1S/C11H10Cl2INO/c12-11(13)5-2-6-15(10(11)16)9-4-1-3-8(14)7-9/h1,3-4,7H,2,5-6H2
InChIKeyOXLKQDBTHYCCLZ-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.02
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one?
The IUPAC name of 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one (CID 171523182) is 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one.
What is the SMILES notation for 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one?
The canonical SMILES for 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one is O=C1N(c2cccc(I)c2)CCCC1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one?
The InChIKey is OXLKQDBTHYCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2INO/c12-11(13)5-2-6-15(10(11)16)9-4-1-3-8(14)7-9/h1,3-4,7H,2,5-6H2.
What are the key properties of 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one?
3,3-dichloro-1-(3-iodophenyl)piperidin-2-one has a molecular weight of 370.02 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1-(3-iodophenyl)piperidin-2-one is sourced from PubChem (CID 171523182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).