actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol

C12H23Ac2NO2 — CID 20696725

IUPACactinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
SMILESC/C=C/CCC(O)C1CN(C)CCC1O.[Ac].[Ac]
InChIInChI=1S/C12H23NO2.2Ac/c1-3-4-5-6-11(14)10-9-13(2)8-7-12(10)15;;/h3-4,10-12,14-15H,5-9H2,1-2H3;;/b4-3+;;
InChIKeyCZCMLAMZCCVGKX-CZEFNJPISA-N
MW667.32 g/mol
LogP1.02
Rot. Bonds4

About actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol

actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol (PubChem CID 20696725) has the molecular formula C12H23Ac2NO2 and a molecular weight of 667.32 g/mol. Its IUPAC name is actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Nameactinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
PubChem CID20696725
Molecular FormulaC12H23Ac2NO2
Molecular Weight667.32 g/mol
Exact Mass667.23
IUPAC Nameactinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
SMILESC/C=C/CCC(O)C1CN(C)CCC1O.[Ac].[Ac]
InChIInChI=1S/C12H23NO2.2Ac/c1-3-4-5-6-11(14)10-9-13(2)8-7-12(10)15;;/h3-4,10-12,14-15H,5-9H2,1-2H3;;/b4-3+;;
InChIKeyCZCMLAMZCCVGKX-CZEFNJPISA-N
XLogP1.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500667.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
3,7-Dimethyl-1-piperidin-1-yloct-6-ene-1,3-diol
CID 19880290
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696714
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
(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596071
1-Methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596074

Frequently Asked Questions

What is the IUPAC name of actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol?
The IUPAC name of actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol (CID 20696725) is actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol?
The canonical SMILES for actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol is C/C=C/CCC(O)C1CN(C)CCC1O.[Ac].[Ac].
What is the InChIKey of actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol?
The InChIKey is CZCMLAMZCCVGKX-CZEFNJPISA-N. The full InChI is InChI=1S/C12H23NO2.2Ac/c1-3-4-5-6-11(14)10-9-13(2)8-7-12(10)15;;/h3-4,10-12,14-15H,5-9H2,1-2H3;;/b4-3+;;.
What are the key properties of actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol?
actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol has a molecular weight of 667.32 g/mol, XLogP of 1.02, 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-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 20696725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).