2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol

C14H20INO2 — CID 10784532

IUPAC2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(COc2ccc([123I])cc2)CC1
InChIInChI=1S/C14H20INO2/c15-13-1-3-14(4-2-13)18-11-12-5-7-16(8-6-12)9-10-17/h1-4,12,17H,5-11H2/i15-4
InChIKeyXHNKRIKJZZBVIE-RGEMYEQESA-N
MW357.22 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol

2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol (PubChem CID 10784532) has the molecular formula C14H20INO2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol
PubChem CID10784532
Molecular FormulaC14H20INO2
Molecular Weight357.22 g/mol
Exact Mass357.05
IUPAC Name2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(COc2ccc([123I])cc2)CC1
InChIInChI=1S/C14H20INO2/c15-13-1-3-14(4-2-13)18-11-12-5-7-16(8-6-12)9-10-17/h1-4,12,17H,5-11H2/i15-4
InChIKeyXHNKRIKJZZBVIE-RGEMYEQESA-N
XLogP2.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol (CID 10784532) is 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol is OCCN1CCC(COc2ccc([123I])cc2)CC1.
What is the InChIKey of 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol?
The InChIKey is XHNKRIKJZZBVIE-RGEMYEQESA-N. The full InChI is InChI=1S/C14H20INO2/c15-13-1-3-14(4-2-13)18-11-12-5-7-16(8-6-12)9-10-17/h1-4,12,17H,5-11H2/i15-4.
What are the key properties of 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol?
2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol has a molecular weight of 357.22 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-(123I)iodophenoxy)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 10784532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).