4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol

C10H18INO2 — CID 59971186

IUPAC4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
SMILESCOC(/C=C/[123I])C1CCN(C)CC1O
InChIInChI=1S/C10H18INO2/c1-12-6-4-8(9(13)7-12)10(14-2)3-5-11/h3,5,8-10,13H,4,6-7H2,1-2H3/b5-3+/i11-4
InChIKeyQJSVGFXFSOUCEK-ZFRLKOTDSA-N
MW307.16 g/mol
LogP1.26
Rot. Bonds3

About 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol

4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol (PubChem CID 59971186) has the molecular formula C10H18INO2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
PubChem CID59971186
Molecular FormulaC10H18INO2
Molecular Weight307.16 g/mol
Exact Mass307.04
IUPAC Name4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
SMILESCOC(/C=C/[123I])C1CCN(C)CC1O
InChIInChI=1S/C10H18INO2/c1-12-6-4-8(9(13)7-12)10(14-2)3-5-11/h3,5,8-10,13H,4,6-7H2,1-2H3/b5-3+/i11-4
InChIKeyQJSVGFXFSOUCEK-ZFRLKOTDSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol
CID 134995514
[4-[(E)-1-hydroxy-3-(123I)iodoprop-2-enyl]-1-methylpiperidin-3-yl] acetate
CID 15852988
4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696713
actinium;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 20696743
actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696745
actinium;4-[[(E)-3-iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol
CID 20696747
[4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-(114C)methylpiperidin-3-yl] acetate
CID 59033116
[(E)-1-(3-hydroxy-1-(114C)methylpiperidin-4-yl)-3-iodoprop-2-enyl] acetate
CID 59033117
actinium;4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971185
actinium;4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-(114C)methylpiperidin-3-ol
CID 59971187
4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-(114C)methylpiperidin-3-ol
CID 59971188
actinium;4-[(E)-1-hydroxy-3-(123I)iodoprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971189

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol?
The IUPAC name of 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol (CID 59971186) is 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol?
The canonical SMILES for 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol is COC(/C=C/[123I])C1CCN(C)CC1O.
What is the InChIKey of 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol?
The InChIKey is QJSVGFXFSOUCEK-ZFRLKOTDSA-N. The full InChI is InChI=1S/C10H18INO2/c1-12-6-4-8(9(13)7-12)10(14-2)3-5-11/h3,5,8-10,13H,4,6-7H2,1-2H3/b5-3+/i11-4.
What are the key properties of 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol?
4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol has a molecular weight of 307.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 59971186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).