tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate

C30H56ClN6ORu+ — CID 156588356

IUPACtris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O.[Cl-].[Ru+8]
InChIInChI=1S/3C10H18N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*9-10H,1-8H2;1H;1H2;/q3*-2;;;+8/p-1
InChIKeyCLBOMBTXUOJJEE-UHFFFAOYSA-M
MW653.34 g/mol
LogP4.69
Rot. Bonds3

About tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate

tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate (PubChem CID 156588356) has the molecular formula C30H56ClN6ORu+ and a molecular weight of 653.34 g/mol. Its IUPAC name is tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate.

Molecular Properties

Compound Nametris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate
PubChem CID156588356
Molecular FormulaC30H56ClN6ORu+
Molecular Weight653.34 g/mol
Exact Mass653.32
IUPAC Nametris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O.[Cl-].[Ru+8]
InChIInChI=1S/3C10H18N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*9-10H,1-8H2;1H;1H2;/q3*-2;;;+8/p-1
InChIKeyCLBOMBTXUOJJEE-UHFFFAOYSA-M
XLogP4.69
TPSA116.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate with MolForge

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Related Compounds

Iron(6+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54603514
Dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54612459
Ruthenium tris(2, dichloride
CID 54603649
Bis(piperidin-1-ide);bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59919011
4-Methyl-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59973511
Bis(piperidin-1-ide);bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+)
CID 140444400
Tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+)
CID 140482762
Iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 5250517
Tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride
CID 156588355
Nickel(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, chloride (1:2), (OC-6-11)-
CID 163355437

Frequently Asked Questions

What is the IUPAC name of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate?
The IUPAC name of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate (CID 156588356) is tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate.
What is the SMILES notation for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate?
The canonical SMILES for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O.[Cl-].[Ru+8].
What is the InChIKey of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate?
The InChIKey is CLBOMBTXUOJJEE-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H18N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*9-10H,1-8H2;1H;1H2;/q3*-2;;;+8/p-1.
What are the key properties of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate?
tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate has a molecular weight of 653.34 g/mol, XLogP of 4.69, 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(8+);chloride;hydrate is sourced from PubChem (CID 156588356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).