copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid

C20H38CuN4O4S-2 — CID 54610798

IUPACcopper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O=S(=O)(O)O.[Cu+2]
InChIInChI=1S/2C10H18N2.Cu.H2O4S/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-5(2,3)4/h2*9-10H,1-8H2;;(H2,1,2,3,4)/q2*-2;+2;
InChIKeyKFPDTDBSNUCGDO-UHFFFAOYSA-N
MW494.16 g/mol
LogP5.02
Rot. Bonds2

About copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid

copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid (PubChem CID 54610798) has the molecular formula C20H38CuN4O4S-2 and a molecular weight of 494.16 g/mol. Its IUPAC name is copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid.

Molecular Properties

Compound Namecopper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid
PubChem CID54610798
Molecular FormulaC20H38CuN4O4S-2
Molecular Weight494.16 g/mol
Exact Mass493.19
IUPAC Namecopper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O=S(=O)(O)O.[Cu+2]
InChIInChI=1S/2C10H18N2.Cu.H2O4S/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-5(2,3)4/h2*9-10H,1-8H2;;(H2,1,2,3,4)/q2*-2;+2;
InChIKeyKFPDTDBSNUCGDO-UHFFFAOYSA-N
XLogP5.02
TPSA131.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.16
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid?
The IUPAC name of copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid (CID 54610798) is copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid.
What is the SMILES notation for copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid?
The canonical SMILES for copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.O=S(=O)(O)O.[Cu+2].
What is the InChIKey of copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid?
The InChIKey is KFPDTDBSNUCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.Cu.H2O4S/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-5(2,3)4/h2*9-10H,1-8H2;;(H2,1,2,3,4)/q2*-2;+2;.
What are the key properties of copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid?
copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid has a molecular weight of 494.16 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid is sourced from PubChem (CID 54610798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).