dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)

C20H36Cl2N4Ru-4 — CID 54612459

IUPACdichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.Cl[Ru]Cl
InChIInChI=1S/2C10H18N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*9-10H,1-8H2;2*1H;/q2*-2;;;+2/p-2
InChIKeyNQRIVYXVKZXDDZ-UHFFFAOYSA-L
MW504.51 g/mol
LogP7.05
Rot. Bonds2

About dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)

dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide) (PubChem CID 54612459) has the molecular formula C20H36Cl2N4Ru-4 and a molecular weight of 504.51 g/mol. Its IUPAC name is dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide).

Molecular Properties

Compound Namedichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
PubChem CID54612459
Molecular FormulaC20H36Cl2N4Ru-4
Molecular Weight504.51 g/mol
Exact Mass504.14
IUPAC Namedichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.Cl[Ru]Cl
InChIInChI=1S/2C10H18N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*9-10H,1-8H2;2*1H;/q2*-2;;;+2/p-2
InChIKeyNQRIVYXVKZXDDZ-UHFFFAOYSA-L
XLogP7.05
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)?
The IUPAC name of dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide) (CID 54612459) is dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide).
What is the SMILES notation for dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)?
The canonical SMILES for dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide) is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)?
The InChIKey is NQRIVYXVKZXDDZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H18N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*9-10H,1-8H2;2*1H;/q2*-2;;;+2/p-2.
What are the key properties of dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)?
dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide) has a molecular weight of 504.51 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide) is sourced from PubChem (CID 54612459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).