3-[(4-iodophenyl)methyl]piperidin-2-one

C12H14INO — CID 104679212

IUPAC3-[(4-iodophenyl)methyl]piperidin-2-one
SMILESO=C1NCCCC1Cc1ccc(I)cc1
InChIInChI=1S/C12H14INO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)
InChIKeyHEPOHADOOGMMBD-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.36
Rot. Bonds2

About 3-[(4-iodophenyl)methyl]piperidin-2-one

3-[(4-iodophenyl)methyl]piperidin-2-one (PubChem CID 104679212) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-iodophenyl)methyl]piperidin-2-one
PubChem CID104679212
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC Name3-[(4-iodophenyl)methyl]piperidin-2-one
SMILESO=C1NCCCC1Cc1ccc(I)cc1
InChIInChI=1S/C12H14INO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)
InChIKeyHEPOHADOOGMMBD-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methyl]piperidin-2-one?
The IUPAC name of 3-[(4-iodophenyl)methyl]piperidin-2-one (CID 104679212) is 3-[(4-iodophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(4-iodophenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(4-iodophenyl)methyl]piperidin-2-one is O=C1NCCCC1Cc1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodophenyl)methyl]piperidin-2-one?
The InChIKey is HEPOHADOOGMMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15).
What are the key properties of 3-[(4-iodophenyl)methyl]piperidin-2-one?
3-[(4-iodophenyl)methyl]piperidin-2-one has a molecular weight of 315.15 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 104679212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).