1-[1-(2-iodophenyl)ethyl]piperidin-4-one

C13H16INO — CID 167714158

IUPAC1-[1-(2-iodophenyl)ethyl]piperidin-4-one
SMILESCC(c1ccccc1I)N1CCC(=O)CC1
InChIInChI=1S/C13H16INO/c1-10(12-4-2-3-5-13(12)14)15-8-6-11(16)7-9-15/h2-5,10H,6-9H2,1H3
InChIKeyZPMIOUOFYXVNRW-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.02
Rot. Bonds2

About 1-[1-(2-iodophenyl)ethyl]piperidin-4-one

1-[1-(2-iodophenyl)ethyl]piperidin-4-one (PubChem CID 167714158) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-[1-(2-iodophenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(2-iodophenyl)ethyl]piperidin-4-one
PubChem CID167714158
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name1-[1-(2-iodophenyl)ethyl]piperidin-4-one
SMILESCC(c1ccccc1I)N1CCC(=O)CC1
InChIInChI=1S/C13H16INO/c1-10(12-4-2-3-5-13(12)14)15-8-6-11(16)7-9-15/h2-5,10H,6-9H2,1H3
InChIKeyZPMIOUOFYXVNRW-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-iodophenyl)ethyl]azetidine
CID 126990795
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
1-[1-(4-iodophenyl)ethyl]piperidin-4-one
CID 131422782
1-(2-iodophenyl)piperidin-4-one
CID 28978342
1-(2-butan-2-ylphenyl)piperidin-4-one
CID 131843613
1-[chloro-(2-chlorophenyl)methyl]piperidin-4-one
CID 22396178
4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
CID 122541325
1-[(3S)-4-methyl-1-phenylpent-1-yn-3-yl]piperidin-4-one
CID 102188894
1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one
CID 58774771
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-iodophenyl)ethyl]piperidin-4-one?
The IUPAC name of 1-[1-(2-iodophenyl)ethyl]piperidin-4-one (CID 167714158) is 1-[1-(2-iodophenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[1-(2-iodophenyl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[1-(2-iodophenyl)ethyl]piperidin-4-one is CC(c1ccccc1I)N1CCC(=O)CC1.
What is the InChIKey of 1-[1-(2-iodophenyl)ethyl]piperidin-4-one?
The InChIKey is ZPMIOUOFYXVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c1-10(12-4-2-3-5-13(12)14)15-8-6-11(16)7-9-15/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[1-(2-iodophenyl)ethyl]piperidin-4-one?
1-[1-(2-iodophenyl)ethyl]piperidin-4-one has a molecular weight of 329.18 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-iodophenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 167714158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).