bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite

C20H36N6O4Ru-2 — CID 54602138

IUPACbis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O=N[O-].O=N[O-].[Ru+4]
InChIInChI=1S/2C10H18N2.2HNO2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;/h2*9-10H,1-8H2;2*(H,2,3);/q2*-2;;;+4/p-2
InChIKeyZRSJJMIVHXKVIO-UHFFFAOYSA-L
MW525.62 g/mol
LogP6.18
Rot. Bonds2

About bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite

bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite (PubChem CID 54602138) has the molecular formula C20H36N6O4Ru-2 and a molecular weight of 525.62 g/mol. Its IUPAC name is bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite.

Molecular Properties

Compound Namebis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite
PubChem CID54602138
Molecular FormulaC20H36N6O4Ru-2
Molecular Weight525.62 g/mol
Exact Mass526.19
IUPAC Namebis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O=N[O-].O=N[O-].[Ru+4]
InChIInChI=1S/2C10H18N2.2HNO2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;/h2*9-10H,1-8H2;2*(H,2,3);/q2*-2;;;+4/p-2
InChIKeyZRSJJMIVHXKVIO-UHFFFAOYSA-L
XLogP6.18
TPSA161.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite?
The IUPAC name of bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite (CID 54602138) is bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite.
What is the SMILES notation for bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite?
The canonical SMILES for bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O=N[O-].O=N[O-].[Ru+4].
What is the InChIKey of bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite?
The InChIKey is ZRSJJMIVHXKVIO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H18N2.2HNO2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;/h2*9-10H,1-8H2;2*(H,2,3);/q2*-2;;;+4/p-2.
What are the key properties of bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite?
bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite has a molecular weight of 525.62 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(4+);dinitrite is sourced from PubChem (CID 54602138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).