dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate

C44H60Cl4Cu2N8O16 — CID 139088374

IUPACdicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);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(CN2CCCC[C@@H]2[C@@H]2CCCCN2Cc2ccccn2)nc1.c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCCN2Cc2ccccn2)nc1
InChIInChI=1S/2C22H30N4.4ClHO4.2Cu/c2*1-5-13-23-19(9-1)17-25-15-7-3-11-21(25)22-12-4-8-16-26(22)18-20-10-2-6-14-24-20;4*2-1(3,4)5;;/h2*1-2,5-6,9-10,13-14,21-22H,3-4,7-8,11-12,15-18H2;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4/t2*21-,22+;;;;;;
InChIKeyYBKLYLFJGCQRPI-IBVYQMJBSA-J
MW1225.91 g/mol
LogP-11.26
Rot. Bonds10

About dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate

dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate (PubChem CID 139088374) has the molecular formula C44H60Cl4Cu2N8O16 and a molecular weight of 1225.91 g/mol. Its IUPAC name is dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate
PubChem CID139088374
Molecular FormulaC44H60Cl4Cu2N8O16
Molecular Weight1225.91 g/mol
Exact Mass1222.15
IUPAC Namedicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);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(CN2CCCC[C@@H]2[C@@H]2CCCCN2Cc2ccccn2)nc1.c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCCN2Cc2ccccn2)nc1
InChIInChI=1S/2C22H30N4.4ClHO4.2Cu/c2*1-5-13-23-19(9-1)17-25-15-7-3-11-21(25)22-12-4-8-16-26(22)18-20-10-2-6-14-24-20;4*2-1(3,4)5;;/h2*1-2,5-6,9-10,13-14,21-22H,3-4,7-8,11-12,15-18H2;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4/t2*21-,22+;;;;;;
InChIKeyYBKLYLFJGCQRPI-IBVYQMJBSA-J
XLogP-11.26
TPSA433.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.91
LogP ≤ 5-11.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

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[(S)-(pmpp)Mn(CF3SO3)2
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Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
bis(europium(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139129491
Tris(acetonitrile);bis(erbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132379
Tris(acetonitrile);bis(terbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132380
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
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RuPDP(COD)OTf
CID 139169569
bis(acetonitrile);iron(3+);bis(iron(4+));tris(oxygen(2-));tris(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 168337013
bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(trifluoromethanesulfonate);dihydroxide
CID 168337016

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate?
The IUPAC name of dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate (CID 139088374) is dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate.
What is the SMILES notation for dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate?
The canonical SMILES for dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);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(CN2CCCC[C@@H]2[C@@H]2CCCCN2Cc2ccccn2)nc1.c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCCN2Cc2ccccn2)nc1.
What is the InChIKey of dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate?
The InChIKey is YBKLYLFJGCQRPI-IBVYQMJBSA-J. The full InChI is InChI=1S/2C22H30N4.4ClHO4.2Cu/c2*1-5-13-23-19(9-1)17-25-15-7-3-11-21(25)22-12-4-8-16-26(22)18-20-10-2-6-14-24-20;4*2-1(3,4)5;;/h2*1-2,5-6,9-10,13-14,21-22H,3-4,7-8,11-12,15-18H2;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4/t2*21-,22+;;;;;;.
What are the key properties of dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate?
dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate has a molecular weight of 1225.91 g/mol, XLogP of -11.26, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-[[(2R)-2-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]methyl]pyridine);tetraperchlorate is sourced from PubChem (CID 139088374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).