actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol

C11H20Ac2INO2 — CID 20696714

IUPACactinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)C(C(O)CC/C=C/I)C1.[Ac].[Ac]
InChIInChI=1S/C11H20INO2.2Ac/c1-13-7-5-11(15)9(8-13)10(14)4-2-3-6-12;;/h3,6,9-11,14-15H,2,4-5,7-8H2,1H3;;/b6-3+;;
InChIKeyCHCJTTMXBNRWQW-RRHCXGJISA-N
MW779.19 g/mol
LogP1.39
Rot. Bonds4

About actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol

actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol (PubChem CID 20696714) has the molecular formula C11H20Ac2INO2 and a molecular weight of 779.19 g/mol. Its IUPAC name is actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Nameactinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
PubChem CID20696714
Molecular FormulaC11H20Ac2INO2
Molecular Weight779.19 g/mol
Exact Mass779.11
IUPAC Nameactinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)C(C(O)CC/C=C/I)C1.[Ac].[Ac]
InChIInChI=1S/C11H20INO2.2Ac/c1-13-7-5-11(15)9(8-13)10(14)4-2-3-6-12;;/h3,6,9-11,14-15H,2,4-5,7-8H2,1H3;;/b6-3+;;
InChIKeyCHCJTTMXBNRWQW-RRHCXGJISA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500779.19
LogP ≤ 51.39
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

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
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
actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 59971179
actinium;3-[(E)-1-hydroxy-5-(123I)iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 59971182
actinium;3-[(E)-1-hydroxy-5-(123I)iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 59971184
1-(1-Methyl-4-propoxypiperidin-3-yl)-5-tributylstannylpent-4-en-1-ol
CID 70001186
[3-(1-Hydroxy-5-iodopent-4-enyl)-1-methylpiperidin-4-yl] acetate
CID 85161170

Frequently Asked Questions

What is the IUPAC name of actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol?
The IUPAC name of actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol (CID 20696714) is actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol?
The canonical SMILES for actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol is CN1CCC(O)C(C(O)CC/C=C/I)C1.[Ac].[Ac].
What is the InChIKey of actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol?
The InChIKey is CHCJTTMXBNRWQW-RRHCXGJISA-N. The full InChI is InChI=1S/C11H20INO2.2Ac/c1-13-7-5-11(15)9(8-13)10(14)4-2-3-6-12;;/h3,6,9-11,14-15H,2,4-5,7-8H2,1H3;;/b6-3+;;.
What are the key properties of actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol?
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol has a molecular weight of 779.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 20696714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).