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

C13H16INO — CID 131422782

IUPAC1-[1-(4-iodophenyl)ethyl]piperidin-4-one
SMILESCC(c1ccc(I)cc1)N1CCC(=O)CC1
InChIInChI=1S/C13H16INO/c1-10(11-2-4-12(14)5-3-11)15-8-6-13(16)7-9-15/h2-5,10H,6-9H2,1H3
InChIKeySETLLXMHCAUQLT-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.02
Rot. Bonds2

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

1-[1-(4-iodophenyl)ethyl]piperidin-4-one (PubChem CID 131422782) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)ethyl]piperidin-4-one
PubChem CID131422782
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name1-[1-(4-iodophenyl)ethyl]piperidin-4-one
SMILESCC(c1ccc(I)cc1)N1CCC(=O)CC1
InChIInChI=1S/C13H16INO/c1-10(11-2-4-12(14)5-3-11)15-8-6-13(16)7-9-15/h2-5,10H,6-9H2,1H3
InChIKeySETLLXMHCAUQLT-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-(4-iodophenyl)ethyl]azetidine
CID 130668463
1-[1-(2-iodophenyl)ethyl]piperidin-4-one
CID 167714158
1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
(3aR,6aS)-5-[1-(4-iodophenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114083159
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
CID 155022245
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975168

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)ethyl]piperidin-4-one?
The IUPAC name of 1-[1-(4-iodophenyl)ethyl]piperidin-4-one (CID 131422782) is 1-[1-(4-iodophenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[1-(4-iodophenyl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[1-(4-iodophenyl)ethyl]piperidin-4-one is CC(c1ccc(I)cc1)N1CCC(=O)CC1.
What is the InChIKey of 1-[1-(4-iodophenyl)ethyl]piperidin-4-one?
The InChIKey is SETLLXMHCAUQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c1-10(11-2-4-12(14)5-3-11)15-8-6-13(16)7-9-15/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[1-(4-iodophenyl)ethyl]piperidin-4-one?
1-[1-(4-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-(4-iodophenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 131422782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).