actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol

C21H39Ac2IN2O4 — CID 162076987

IUPACactinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
SMILESC/C=C/C(OC)C1CCN(C)CC1O.COC(/C=C/I)C1CCN(C)CC1O.[Ac].[Ac]
InChIInChI=1S/C11H21NO2.C10H18INO2.2Ac/c1-4-5-11(14-3)9-6-7-12(2)8-10(9)13;1-12-6-4-8(9(13)7-12)10(14-2)3-5-11;;/h4-5,9-11,13H,6-8H2,1-3H3;3,5,8-10,13H,4,6-7H2,1-2H3;;/b5-4+;5-3+;;
InChIKeyQEVQCLVXNHXTQG-PAACRRFMSA-N
MW964.46 g/mol
LogP2.15
Rot. Bonds6

About actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol

actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol (PubChem CID 162076987) has the molecular formula C21H39Ac2IN2O4 and a molecular weight of 964.46 g/mol. Its IUPAC name is actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Nameactinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
PubChem CID162076987
Molecular FormulaC21H39Ac2IN2O4
Molecular Weight964.46 g/mol
Exact Mass964.25
IUPAC Nameactinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
SMILESC/C=C/C(OC)C1CCN(C)CC1O.COC(/C=C/I)C1CCN(C)CC1O.[Ac].[Ac]
InChIInChI=1S/C11H21NO2.C10H18INO2.2Ac/c1-4-5-11(14-3)9-6-7-12(2)8-10(9)13;1-12-6-4-8(9(13)7-12)10(14-2)3-5-11;;/h4-5,9-11,13H,6-8H2,1-3H3;3,5,8-10,13H,4,6-7H2,1-2H3;;/b5-4+;5-3+;;
InChIKeyQEVQCLVXNHXTQG-PAACRRFMSA-N
XLogP2.15
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500964.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 20696743
actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696745
actinium;4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971185
1-[4-[[(2R)-2-ethyl-1lambda3-iodacyclohexa-4,6-dien-3-yl]oxymethyl]piperidin-1-yl]propan-1-ol
CID 163444107
4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 20696744
4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696746
4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971186

Frequently Asked Questions

What is the IUPAC name of actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
The IUPAC name of actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol (CID 162076987) is actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
The canonical SMILES for actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol is C/C=C/C(OC)C1CCN(C)CC1O.COC(/C=C/I)C1CCN(C)CC1O.[Ac].[Ac].
What is the InChIKey of actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
The InChIKey is QEVQCLVXNHXTQG-PAACRRFMSA-N. The full InChI is InChI=1S/C11H21NO2.C10H18INO2.2Ac/c1-4-5-11(14-3)9-6-7-12(2)8-10(9)13;1-12-6-4-8(9(13)7-12)10(14-2)3-5-11;;/h4-5,9-11,13H,6-8H2,1-3H3;3,5,8-10,13H,4,6-7H2,1-2H3;;/b5-4+;5-3+;;.
What are the key properties of actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol has a molecular weight of 964.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 162076987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).