bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))

C253H430N42Ru6 — CID 161040228

IUPACbis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))
SMILESC1CCC(C2CC(C3CC(C4CC(C5CCCC[N-]5)[N-]C(C5CCCC[N-]5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCC[N-]3)[N-]2)[N-]C1.C1CCC(C2CC(C3CC(C4CC(C5CCCC[N-]5)[N-]C(C5CCCC[N-]5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCC[N-]3)[N-]2)[N-]C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CCC.[Ru+6].[Ru+6].[Ru+6].[Ru+6].[Ru+6].[Ru+6]
InChIInChI=1S/2C51H87N9.4C37H62N6.C3H8.6Ru/c2*1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45;4*1-25-18-26(28-21-34(30-10-2-6-14-38-30)42-35(22-28)31-11-3-7-15-39-31)20-27(19-25)29-23-36(32-12-4-8-16-40-32)43-37(24-29)33-13-5-9-17-41-33;1-3-2;;;;;;/h2*34-53,58H,1-33H2;4*25-37H,2-24H2,1H3;3H2,1-2H3;;;;;;/q6*-6;;6*+6
InChIKeyUAUARRREPMXVHE-UHFFFAOYSA-N
MW4666.94 g/mol
LogP62.12
Rot. Bonds42

About bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))

bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)) (PubChem CID 161040228) has the molecular formula C253H430N42Ru6 and a molecular weight of 4666.94 g/mol. Its IUPAC name is bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)).

Molecular Properties

Compound Namebis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))
PubChem CID161040228
Molecular FormulaC253H430N42Ru6
Molecular Weight4666.94 g/mol
Exact Mass4668.92
IUPAC Namebis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))
SMILESC1CCC(C2CC(C3CC(C4CC(C5CCCC[N-]5)[N-]C(C5CCCC[N-]5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCC[N-]3)[N-]2)[N-]C1.C1CCC(C2CC(C3CC(C4CC(C5CCCC[N-]5)[N-]C(C5CCCC[N-]5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCC[N-]3)[N-]2)[N-]C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CCC.[Ru+6].[Ru+6].[Ru+6].[Ru+6].[Ru+6].[Ru+6]
InChIInChI=1S/2C51H87N9.4C37H62N6.C3H8.6Ru/c2*1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45;4*1-25-18-26(28-21-34(30-10-2-6-14-38-30)42-35(22-28)31-11-3-7-15-39-31)20-27(19-25)29-23-36(32-12-4-8-16-40-32)43-37(24-29)33-13-5-9-17-41-33;1-3-2;;;;;;/h2*34-53,58H,1-33H2;4*25-37H,2-24H2,1H3;3H2,1-2H3;;;;;;/q6*-6;;6*+6
InChIKeyUAUARRREPMXVHE-UHFFFAOYSA-N
XLogP62.12
TPSA579.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds42
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004666.94
LogP ≤ 562.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))?
The IUPAC name of bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)) (CID 161040228) is bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)).
What is the SMILES notation for bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))?
The canonical SMILES for bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)) is C1CCC(C2CC(C3CC(C4CC(C5CCCC[N-]5)[N-]C(C5CCCC[N-]5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCC[N-]3)[N-]2)[N-]C1.C1CCC(C2CC(C3CC(C4CC(C5CCCC[N-]5)[N-]C(C5CCCC[N-]5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCC[N-]3)[N-]2)[N-]C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CC1CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)CC(C2CC(C3CCCC[N-]3)[N-]C(C3CCCC[N-]3)C2)C1.CCC.[Ru+6].[Ru+6].[Ru+6].[Ru+6].[Ru+6].[Ru+6].
What is the InChIKey of bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))?
The InChIKey is UAUARRREPMXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H87N9.4C37H62N6.C3H8.6Ru/c2*1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45;4*1-25-18-26(28-21-34(30-10-2-6-14-38-30)42-35(22-28)31-11-3-7-15-39-31)20-27(19-25)29-23-36(32-12-4-8-16-40-32)43-37(24-29)33-13-5-9-17-41-33;1-3-2;;;;;;/h2*34-53,58H,1-33H2;4*25-37H,2-24H2,1H3;3H2,1-2H3;;;;;;/q6*-6;;6*+6.
What are the key properties of bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+))?
bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)) has a molecular weight of 4666.94 g/mol, XLogP of 62.12, 42 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);tetrakis(4-[3-[2,6-di(piperidin-1-id-2-yl)piperidin-1-id-4-yl]-5-methylcyclohexyl]-2,6-di(piperidin-1-id-2-yl)piperidin-1-ide);propane;hexakis(ruthenium(6+)) is sourced from PubChem (CID 161040228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).