1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one

C14H18INO — CID 116564283

IUPAC1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(I)cc1)CC1CCCNC1
InChIInChI=1S/C14H18INO/c15-13-5-3-11(4-6-13)8-14(17)9-12-2-1-7-16-10-12/h3-6,12,16H,1-2,7-10H2
InChIKeyMVKGQTHCLOTWFS-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one

1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one (PubChem CID 116564283) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
PubChem CID116564283
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(I)cc1)CC1CCCNC1
InChIInChI=1S/C14H18INO/c15-13-5-3-11(4-6-13)8-14(17)9-12-2-1-7-16-10-12/h3-6,12,16H,1-2,7-10H2
InChIKeyMVKGQTHCLOTWFS-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564193
1-(1,3-dioxolan-2-yl)-3-(4-iodophenyl)propan-2-one
CID 103543700
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
4-[(4-iodophenyl)methyl]azepane
CID 83262135
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one (CID 116564283) is 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one is O=C(Cc1ccc(I)cc1)CC1CCCNC1.
What is the InChIKey of 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is MVKGQTHCLOTWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c15-13-5-3-11(4-6-13)8-14(17)9-12-2-1-7-16-10-12/h3-6,12,16H,1-2,7-10H2.
What are the key properties of 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one?
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 343.21 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 116564283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).