(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H17I2NO3 — CID 63402925

IUPAC(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(I)cc(I)c1O)N1CCCCC1CCO
InChIInChI=1S/C14H17I2NO3/c15-9-7-11(13(19)12(16)8-9)14(20)17-5-2-1-3-10(17)4-6-18/h7-8,10,18-19H,1-6H2
InChIKeyVKOOBZLGVQJZRW-UHFFFAOYSA-N
MW501.10 g/mol
LogP2.98
Rot. Bonds3

About (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 63402925) has the molecular formula C14H17I2NO3 and a molecular weight of 501.10 g/mol. Its IUPAC name is (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID63402925
Molecular FormulaC14H17I2NO3
Molecular Weight501.10 g/mol
Exact Mass500.93
IUPAC Name(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(I)cc(I)c1O)N1CCCCC1CCO
InChIInChI=1S/C14H17I2NO3/c15-9-7-11(13(19)12(16)8-9)14(20)17-5-2-1-3-10(17)4-6-18/h7-8,10,18-19H,1-6H2
InChIKeyVKOOBZLGVQJZRW-UHFFFAOYSA-N
XLogP2.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.10
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-hydroxy-3,5-diiodobenzoyl)pyrrolidin-2-yl]acetic acid
CID 63405109
(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid
CID 66264253
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid
CID 81119717
(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106993205
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103956467
[2-(chloromethyl)azepan-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732725

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 63402925) is (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(I)cc(I)c1O)N1CCCCC1CCO.
What is the InChIKey of (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is VKOOBZLGVQJZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17I2NO3/c15-9-7-11(13(19)12(16)8-9)14(20)17-5-2-1-3-10(17)4-6-18/h7-8,10,18-19H,1-6H2.
What are the key properties of (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 501.10 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63402925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).