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

C30H54ClN6Ru+ — CID 156588355

IUPACtris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Cl-].[Ru+8]
InChIInChI=1S/3C10H18N2.ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3*9-10H,1-8H2;1H;/q3*-2;;+8/p-1
InChIKeyBBFGKSBHDJKYCC-UHFFFAOYSA-M
MW635.33 g/mol
LogP5.52
Rot. Bonds3

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

tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride (PubChem CID 156588355) has the molecular formula C30H54ClN6Ru+ and a molecular weight of 635.33 g/mol. Its IUPAC name is tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride.

Molecular Properties

Compound Nametris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride
PubChem CID156588355
Molecular FormulaC30H54ClN6Ru+
Molecular Weight635.33 g/mol
Exact Mass635.31
IUPAC Nametris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Cl-].[Ru+8]
InChIInChI=1S/3C10H18N2.ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3*9-10H,1-8H2;1H;/q3*-2;;+8/p-1
InChIKeyBBFGKSBHDJKYCC-UHFFFAOYSA-M
XLogP5.52
TPSA84.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.33
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Iron(6+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54603514
Dichlorocobalt;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54604644
Dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54612459
Ruthenium tris(2, dichloride
CID 54603649
Iridium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 59063314
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
Copper bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 5252195
8,8'-Spirobi[7,9-diaza-8-plumbatricyclo[7.4.0.02,7]tridecane]
CID 16685450

Frequently Asked Questions

What is the IUPAC name of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride?
The IUPAC name of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride (CID 156588355) is tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride.
What is the SMILES notation for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride?
The canonical SMILES for tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Cl-].[Ru+8].
What is the InChIKey of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride?
The InChIKey is BBFGKSBHDJKYCC-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H18N2.ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3*9-10H,1-8H2;1H;/q3*-2;;+8/p-1.
What are the key properties of tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride?
tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride has a molecular weight of 635.33 g/mol, XLogP of 5.52, 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 is sourced from PubChem (CID 156588355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).