tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)

C54H102N6Ru — CID 59100553

IUPACtris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
SMILESCC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.[Ru+6]
InChIInChI=1S/3C18H34N2.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;/h3*13-16H,7-12H2,1-6H3;/q3*-2;+6
InChIKeyOHKDADSAPXRHII-UHFFFAOYSA-N
MW936.52 g/mol
LogP16.15
Rot. Bonds3

About tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)

tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+) (PubChem CID 59100553) has the molecular formula C54H102N6Ru and a molecular weight of 936.52 g/mol. Its IUPAC name is tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+).

Molecular Properties

Compound Nametris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
PubChem CID59100553
Molecular FormulaC54H102N6Ru
Molecular Weight936.52 g/mol
Exact Mass936.72
IUPAC Nametris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
SMILESCC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.[Ru+6]
InChIInChI=1S/3C18H34N2.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;/h3*13-16H,7-12H2,1-6H3;/q3*-2;+6
InChIKeyOHKDADSAPXRHII-UHFFFAOYSA-N
XLogP16.15
TPSA84.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.52
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+) with MolForge

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Launch Full Analysis

Related Compounds

Carbanide;bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59582768
4-Methyl-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59973511
1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
CID 157322500
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
CID 158654218
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;ethane
CID 159665952
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane
CID 159956624
Bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride
CID 5246827

Frequently Asked Questions

What is the IUPAC name of tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)?
The IUPAC name of tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+) (CID 59100553) is tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+).
What is the SMILES notation for tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)?
The canonical SMILES for tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+) is CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.[Ru+6].
What is the InChIKey of tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)?
The InChIKey is OHKDADSAPXRHII-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H34N2.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;/h3*13-16H,7-12H2,1-6H3;/q3*-2;+6.
What are the key properties of tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)?
tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+) has a molecular weight of 936.52 g/mol, XLogP of 16.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+) is sourced from PubChem (CID 59100553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).