4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol

C20H23I2NO3 — CID 142950188

IUPAC4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
SMILESCC(C(O)c1ccc(O)cc1)N1CCC(O)(c2cc(I)cc(I)c2)CC1
InChIInChI=1S/C20H23I2NO3/c1-13(19(25)14-2-4-18(24)5-3-14)23-8-6-20(26,7-9-23)15-10-16(21)12-17(22)11-15/h2-5,10-13,19,24-26H,6-9H2,1H3
InChIKeyHDWWBACMBVAFBI-UHFFFAOYSA-N
MW579.22 g/mol
LogP4.01
Rot. Bonds4

About 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol

4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol (PubChem CID 142950188) has the molecular formula C20H23I2NO3 and a molecular weight of 579.22 g/mol. Its IUPAC name is 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
PubChem CID142950188
Molecular FormulaC20H23I2NO3
Molecular Weight579.22 g/mol
Exact Mass578.98
IUPAC Name4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
SMILESCC(C(O)c1ccc(O)cc1)N1CCC(O)(c2cc(I)cc(I)c2)CC1
InChIInChI=1S/C20H23I2NO3/c1-13(19(25)14-2-4-18(24)5-3-14)23-8-6-20(26,7-9-23)15-10-16(21)12-17(22)11-15/h2-5,10-13,19,24-26H,6-9H2,1H3
InChIKeyHDWWBACMBVAFBI-UHFFFAOYSA-N
XLogP4.01
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.22
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol 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

4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 57045332
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 70057699
1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 21186599
1-[1-(3-fluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 73195170
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
1-[(2R)-1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 67670710
1-[(1R,2R)-1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 54171505
1-[1-(3,5-difluoro-4-phenylmethoxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 70236000
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 70235990
1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
CID 54296941
[4-[1-hydroxy-2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]phenyl] 4-[(tert-butylamino)methyl]benzoate
CID 54574444

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The IUPAC name of 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol (CID 142950188) is 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol is CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2cc(I)cc(I)c2)CC1.
What is the InChIKey of 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The InChIKey is HDWWBACMBVAFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23I2NO3/c1-13(19(25)14-2-4-18(24)5-3-14)23-8-6-20(26,7-9-23)15-10-16(21)12-17(22)11-15/h2-5,10-13,19,24-26H,6-9H2,1H3.
What are the key properties of 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol has a molecular weight of 579.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol is sourced from PubChem (CID 142950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).