actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)

C85H85AcNO2P4Pd — CID 159999138

IUPACactinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)
SMILESCC=CCCC(OC)C1CN(C)CCC1O.[Ac].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C13H25NO2.Ac.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5-6-7-13(16-3)11-10-14(2)9-8-12(11)15;;/h4*1-15H;4-5,11-13,15H,6-10H2,1-3H3;;
InChIKeyOOVWHYGBPVPLJB-UHFFFAOYSA-N
MW1609.94 g/mol
LogP15.45
Rot. Bonds17

About actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)

actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane) (PubChem CID 159999138) has the molecular formula C85H85AcNO2P4Pd and a molecular weight of 1609.94 g/mol. Its IUPAC name is actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Nameactinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)
PubChem CID159999138
Molecular FormulaC85H85AcNO2P4Pd
Molecular Weight1609.94 g/mol
Exact Mass1608.48
IUPAC Nameactinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)
SMILESCC=CCCC(OC)C1CN(C)CCC1O.[Ac].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C13H25NO2.Ac.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5-6-7-13(16-3)11-10-14(2)9-8-12(11)15;;/h4*1-15H;4-5,11-13,15H,6-10H2,1-3H3;;
InChIKeyOOVWHYGBPVPLJB-UHFFFAOYSA-N
XLogP15.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001609.94
LogP ≤ 515.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane) 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;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 59971179
3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696726
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696727
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
CID 154669394
palladium;ruthenium;triphenylphosphane
CID 174683160
actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol
CID 20696716
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
[(E)-hept-5-en-2-yl]benzene
CID 22172140
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 117095351
[3-[5-(123I)iodo-1-(methoxymethoxy)pent-4-enyl]-1-methylpiperidin-4-yl] acetate
CID 91226870

Frequently Asked Questions

What is the IUPAC name of actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane) (CID 159999138) is actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane) is CC=CCCC(OC)C1CN(C)CCC1O.[Ac].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)?
The InChIKey is OOVWHYGBPVPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C13H25NO2.Ac.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5-6-7-13(16-3)11-10-14(2)9-8-12(11)15;;/h4*1-15H;4-5,11-13,15H,6-10H2,1-3H3;;.
What are the key properties of actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane)?
actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1609.94 g/mol, XLogP of 15.45, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-(1-methoxyhex-4-enyl)-1-methylpiperidin-4-ol;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159999138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).