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

C11H20AcINO2 — CID 20696727

IUPACactinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)C(C(O)CC/C=C/I)C1.[Ac]
InChIInChI=1S/C11H20INO2.Ac/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+;
InChIKeyGOADDKZUVZEWHO-ZIKNSQGESA-N
MW552.19 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 20696727) has the molecular formula C11H20AcINO2 and a molecular weight of 552.19 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 CID20696727
Molecular FormulaC11H20AcINO2
Molecular Weight552.19 g/mol
Exact Mass552.08
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]
InChIInChI=1S/C11H20INO2.Ac/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+;
InChIKeyGOADDKZUVZEWHO-ZIKNSQGESA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.19
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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Launch Full Analysis

Related Compounds

3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696726
actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol
CID 20696716
actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 59971179
[3-(1-acetyloxy-5-iodopent-4-enyl)-1-methylpiperidin-4-yl] acetate
CID 73455964
actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)
CID 159999138
4-iodo-1-methylpiperidin-3-ol
CID 134434558
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355
(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol
CID 130368184
CID 59971181
CID 59971181
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619

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 20696727) 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].
What is the InChIKey of actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol?
The InChIKey is GOADDKZUVZEWHO-ZIKNSQGESA-N. The full InChI is InChI=1S/C11H20INO2.Ac/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 552.19 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 20696727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).