1-(2-iodophenyl)piperidin-4-one

C11H12INO — CID 28978342

IUPAC1-(2-iodophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccccc2I)CC1
InChIInChI=1S/C11H12INO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4H,5-8H2
InChIKeyLEOMRMNPFCXLFC-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.46
Rot. Bonds1

About 1-(2-iodophenyl)piperidin-4-one

1-(2-iodophenyl)piperidin-4-one (PubChem CID 28978342) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-(2-iodophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-iodophenyl)piperidin-4-one
PubChem CID28978342
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name1-(2-iodophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccccc2I)CC1
InChIInChI=1S/C11H12INO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4H,5-8H2
InChIKeyLEOMRMNPFCXLFC-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)piperidin-4-one?
The IUPAC name of 1-(2-iodophenyl)piperidin-4-one (CID 28978342) is 1-(2-iodophenyl)piperidin-4-one.
What is the SMILES notation for 1-(2-iodophenyl)piperidin-4-one?
The canonical SMILES for 1-(2-iodophenyl)piperidin-4-one is O=C1CCN(c2ccccc2I)CC1.
What is the InChIKey of 1-(2-iodophenyl)piperidin-4-one?
The InChIKey is LEOMRMNPFCXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4H,5-8H2.
What are the key properties of 1-(2-iodophenyl)piperidin-4-one?
1-(2-iodophenyl)piperidin-4-one has a molecular weight of 301.13 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)piperidin-4-one is sourced from PubChem (CID 28978342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).