tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)

C30H54N6Ru — CID 54603649

IUPACtris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Ru+6]
InChIInChI=1S/3C10H18N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*9-10H,1-8H2;/q3*-2;+6
InChIKeyXMURPACFEIRPEF-UHFFFAOYSA-N
MW599.87 g/mol
LogP8.51
Rot. Bonds3

About tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)

tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+) (PubChem CID 54603649) has the molecular formula C30H54N6Ru and a molecular weight of 599.87 g/mol. Its IUPAC name is tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+).

Molecular Properties

Compound Nametris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
PubChem CID54603649
Molecular FormulaC30H54N6Ru
Molecular Weight599.87 g/mol
Exact Mass600.35
IUPAC Nametris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Ru+6]
InChIInChI=1S/3C10H18N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*9-10H,1-8H2;/q3*-2;+6
InChIKeyXMURPACFEIRPEF-UHFFFAOYSA-N
XLogP8.51
TPSA84.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.87
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)?
The IUPAC name of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+) (CID 54603649) is tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+).
What is the SMILES notation for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)?
The canonical SMILES for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+) is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Ru+6].
What is the InChIKey of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)?
The InChIKey is XMURPACFEIRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H18N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*9-10H,1-8H2;/q3*-2;+6.
What are the key properties of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)?
tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+) has a molecular weight of 599.87 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+) is sourced from PubChem (CID 54603649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).