dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate

C32H40Cl4Cu2N8O16 — CID 139136687

IUPACdicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1.c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1
InChIInChI=1S/2C16H20N4.4ClHO4.2Cu/c2*1-3-7-17-15(5-1)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18-16;4*2-1(3,4)5;;/h2*1-8H,9-14H2;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyHURVZMTUXIXOFT-UHFFFAOYSA-J
MW1061.62 g/mol
LogP-15.44
Rot. Bonds8

About dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate

dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate (PubChem CID 139136687) has the molecular formula C32H40Cl4Cu2N8O16 and a molecular weight of 1061.62 g/mol. Its IUPAC name is dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate
PubChem CID139136687
Molecular FormulaC32H40Cl4Cu2N8O16
Molecular Weight1061.62 g/mol
Exact Mass1057.99
IUPAC Namedicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1.c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1
InChIInChI=1S/2C16H20N4.4ClHO4.2Cu/c2*1-3-7-17-15(5-1)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18-16;4*2-1(3,4)5;;/h2*1-8H,9-14H2;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyHURVZMTUXIXOFT-UHFFFAOYSA-J
XLogP-15.44
TPSA433.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.62
LogP ≤ 5-15.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

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Bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-olate);chloroform;manganese;manganese(3+);tetrakis(oxygen(2-));bis(trifluoromethanesulfonate);triperchlorate
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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate?
The IUPAC name of dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate (CID 139136687) is dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate.
What is the SMILES notation for dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate?
The canonical SMILES for dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate is [Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1.c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1.
What is the InChIKey of dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate?
The InChIKey is HURVZMTUXIXOFT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H20N4.4ClHO4.2Cu/c2*1-3-7-17-15(5-1)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18-16;4*2-1(3,4)5;;/h2*1-8H,9-14H2;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate?
dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate has a molecular weight of 1061.62 g/mol, XLogP of -15.44, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate is sourced from PubChem (CID 139136687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).