actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol

C10H18AcINO2 — CID 59971193

IUPACactinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol
SMILESCN1CCC(COC/C=C/[123I])C(O)C1.[Ac]
InChIInChI=1S/C10H18INO2.Ac/c1-12-5-3-9(10(13)7-12)8-14-6-2-4-11;/h2,4,9-10,13H,3,5-8H2,1H3;/b4-2+;/i11-4;
InChIKeyCAYFMKFJNVBIAZ-ULCJWJMCSA-N
MW534.16 g/mol
LogP1.26
Rot. Bonds4

About actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol

actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol (PubChem CID 59971193) has the molecular formula C10H18AcINO2 and a molecular weight of 534.16 g/mol. Its IUPAC name is actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Nameactinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol
PubChem CID59971193
Molecular FormulaC10H18AcINO2
Molecular Weight534.16 g/mol
Exact Mass534.07
IUPAC Nameactinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol
SMILESCN1CCC(COC/C=C/[123I])C(O)C1.[Ac]
InChIInChI=1S/C10H18INO2.Ac/c1-12-5-3-9(10(13)7-12)8-14-6-2-4-11;/h2,4,9-10,13H,3,5-8H2,1H3;/b4-2+;/i11-4;
InChIKeyCAYFMKFJNVBIAZ-ULCJWJMCSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[(E)-3-iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-yl] acetate
CID 15546324
4-[[(E)-3-iodoprop-2-enoxy]methyl]-3-(methoxymethoxy)-1-methylpiperidine
CID 15546325
4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696713
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-(3-Iodoprop-2-enoxymethyl)-1-methylpiperidin-3-yl] acetate
CID 53741176
4-(3-Iodoprop-2-enoxymethyl)-3-(methoxymethoxy)-1-methylpiperidine
CID 53986846
[(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 actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol?
The IUPAC name of actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol (CID 59971193) is actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol?
The canonical SMILES for actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol is CN1CCC(COC/C=C/[123I])C(O)C1.[Ac].
What is the InChIKey of actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol?
The InChIKey is CAYFMKFJNVBIAZ-ULCJWJMCSA-N. The full InChI is InChI=1S/C10H18INO2.Ac/c1-12-5-3-9(10(13)7-12)8-14-6-2-4-11;/h2,4,9-10,13H,3,5-8H2,1H3;/b4-2+;/i11-4;.
What are the key properties of actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol?
actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol has a molecular weight of 534.16 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;4-[[(E)-3-(123I)iodoprop-2-enoxy]methyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 59971193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).