cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate

C60H72CdCl2N16O8 — CID 139076164

IUPACcadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
SMILES[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1
InChIInChI=1S/4C15H18N4.Cd.2ClHO4/c4*1-2-6-17-15(3-1)19-11-9-18(10-12-19)13-14-4-7-16-8-5-14;;2*2-1(3,4)5/h4*1-8H,9-13H2;;2*(H,2,3,4,5)/q;;;;+2;;/p-2
InChIKeyXXPMLQYWXWSQTL-UHFFFAOYSA-L
MW1328.66 g/mol
LogP-2.32
Rot. Bonds12

About cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate

cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate (PubChem CID 139076164) has the molecular formula C60H72CdCl2N16O8 and a molecular weight of 1328.66 g/mol. Its IUPAC name is cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate.

Molecular Properties

Compound Namecadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
PubChem CID139076164
Molecular FormulaC60H72CdCl2N16O8
Molecular Weight1328.66 g/mol
Exact Mass1328.41
IUPAC Namecadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
SMILES[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1
InChIInChI=1S/4C15H18N4.Cd.2ClHO4/c4*1-2-6-17-15(3-1)19-11-9-18(10-12-19)13-14-4-7-16-8-5-14;;2*2-1(3,4)5/h4*1-8H,9-13H2;;2*(H,2,3,4,5)/q;;;;+2;;/p-2
InChIKeyXXPMLQYWXWSQTL-UHFFFAOYSA-L
XLogP-2.32
TPSA313.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001328.66
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
CID 142099057
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate?
The IUPAC name of cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate (CID 139076164) is cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate.
What is the SMILES notation for cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate?
The canonical SMILES for cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate is [Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.c1ccc(N2CCN(Cc3ccncc3)CC2)nc1.
What is the InChIKey of cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate?
The InChIKey is XXPMLQYWXWSQTL-UHFFFAOYSA-L. The full InChI is InChI=1S/4C15H18N4.Cd.2ClHO4/c4*1-2-6-17-15(3-1)19-11-9-18(10-12-19)13-14-4-7-16-8-5-14;;2*2-1(3,4)5/h4*1-8H,9-13H2;;2*(H,2,3,4,5)/q;;;;+2;;/p-2.
What are the key properties of cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate?
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate has a molecular weight of 1328.66 g/mol, XLogP of -2.32, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate is sourced from PubChem (CID 139076164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).