actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol

C12H22AcINO2 — CID 59971179

IUPACactinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
SMILESCOC(CC/C=C/[123I])C1CN(C)CCC1O.[Ac]
InChIInChI=1S/C12H22INO2.Ac/c1-14-8-6-11(15)10(9-14)12(16-2)5-3-4-7-13;/h4,7,10-12,15H,3,5-6,8-9H2,1-2H3;/b7-4+;/i13-4;
InChIKeyDIFZWNDRILOEGC-OQJKJFBQSA-N
MW562.22 g/mol
LogP2.04
Rot. Bonds5

About actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol

actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol (PubChem CID 59971179) has the molecular formula C12H22AcINO2 and a molecular weight of 562.22 g/mol. Its IUPAC name is actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Nameactinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
PubChem CID59971179
Molecular FormulaC12H22AcINO2
Molecular Weight562.22 g/mol
Exact Mass562.10
IUPAC Nameactinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
SMILESCOC(CC/C=C/[123I])C1CN(C)CCC1O.[Ac]
InChIInChI=1S/C12H22INO2.Ac/c1-14-8-6-11(15)10(9-14)12(16-2)5-3-4-7-13;/h4,7,10-12,15H,3,5-6,8-9H2,1-2H3;/b7-4+;/i13-4;
InChIKeyDIFZWNDRILOEGC-OQJKJFBQSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.22
LogP ≤ 52.04
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

1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
[3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 10499179
[3-[(E)-1-hydroxy-5-(123I)iodopent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 10808683
[3-[(E)-5-iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 18674807
[3-[(E)-1-acetyloxy-5-iodopent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 18674819
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696714
actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696725
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696727
actinium;3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696731
actinium;3-[(E)-5-iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 20696736
[3-[(E)-1-acetyloxy-5-(123I)iodopent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 59033115
[3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 59033119

Frequently Asked Questions

What is the IUPAC name of actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol?
The IUPAC name of actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol (CID 59971179) is actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol?
The canonical SMILES for actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol is COC(CC/C=C/[123I])C1CN(C)CCC1O.[Ac].
What is the InChIKey of actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol?
The InChIKey is DIFZWNDRILOEGC-OQJKJFBQSA-N. The full InChI is InChI=1S/C12H22INO2.Ac/c1-14-8-6-11(15)10(9-14)12(16-2)5-3-4-7-13;/h4,7,10-12,15H,3,5-6,8-9H2,1-2H3;/b7-4+;/i13-4;.
What are the key properties of actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol?
actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol has a molecular weight of 562.22 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 59971179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).