2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one

C15H20INO2 — CID 171145256

IUPAC2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)Oc2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO2/c1-11-7-9-17(10-8-11)15(18)12(2)19-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOCYWJYKLLOIJAL-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 171145256) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID171145256
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)Oc2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO2/c1-11-7-9-17(10-8-11)15(18)12(2)19-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOCYWJYKLLOIJAL-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-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

2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35329051
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 39854933
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 171145256) is 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)Oc2ccc(I)cc2)CC1.
What is the InChIKey of 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is OCYWJYKLLOIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-11-7-9-17(10-8-11)15(18)12(2)19-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 373.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 171145256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).