6-(iodomethyl)piperidin-2-one

C6H10INO — CID 10933573

IUPAC6-(iodomethyl)piperidin-2-one
SMILESO=C1CCCC(CI)N1
InChIInChI=1S/C6H10INO/c7-4-5-2-1-3-6(9)8-5/h5H,1-4H2,(H,8,9)
InChIKeyBKEXAMMERQOTIF-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.09
Rot. Bonds1

About 6-(iodomethyl)piperidin-2-one

6-(iodomethyl)piperidin-2-one (PubChem CID 10933573) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 6-(iodomethyl)piperidin-2-one.

Molecular Properties

Compound Name6-(iodomethyl)piperidin-2-one
PubChem CID10933573
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name6-(iodomethyl)piperidin-2-one
SMILESO=C1CCCC(CI)N1
InChIInChI=1S/C6H10INO/c7-4-5-2-1-3-6(9)8-5/h5H,1-4H2,(H,8,9)
InChIKeyBKEXAMMERQOTIF-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 6-(iodomethyl)piperidin-2-one?
The IUPAC name of 6-(iodomethyl)piperidin-2-one (CID 10933573) is 6-(iodomethyl)piperidin-2-one.
What is the SMILES notation for 6-(iodomethyl)piperidin-2-one?
The canonical SMILES for 6-(iodomethyl)piperidin-2-one is O=C1CCCC(CI)N1.
What is the InChIKey of 6-(iodomethyl)piperidin-2-one?
The InChIKey is BKEXAMMERQOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c7-4-5-2-1-3-6(9)8-5/h5H,1-4H2,(H,8,9).
What are the key properties of 6-(iodomethyl)piperidin-2-one?
6-(iodomethyl)piperidin-2-one has a molecular weight of 239.06 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)piperidin-2-one is sourced from PubChem (CID 10933573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).