tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate

C56H100Cu4N10O6+4 — CID 5249803

IUPACtetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate
SMILESCC1CC(/C=N/CCC2=CC=CC[N-]2)C(O)C(/C=N/CCC2CCCC[N-]2)C1.CC1CC(/C=N/CCC2CCCC[N-]2)C(O)C(/C=N/CCC2CCCC[N-]2)C1.O.O.ON1CCC(C2CCN(O)CC2)CC1.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/C23H40N4O.C23H36N4O.C10H20N2O2.4Cu.2H2O/c2*1-18-14-19(16-24-12-8-21-6-2-4-10-26-21)23(28)20(15-18)17-25-13-9-22-7-3-5-11-27-22;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;;;;/h16-23,28H,2-15H2,1H3;2,4,6,16-20,22-23,28H,3,5,7-15H2,1H3;9-10,13-14H,1-8H2;;;;;2*1H2/q2*-2;;4*+2;;/b2*24-16+,25-17+;;;;;;;
InChIKeyNGGOVTUPNFCKRL-YIXVVBHWSA-N
MW1263.66 g/mol
LogP9.00
Rot. Bonds17

About tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate

tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate (PubChem CID 5249803) has the molecular formula C56H100Cu4N10O6+4 and a molecular weight of 1263.66 g/mol. Its IUPAC name is tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate.

Molecular Properties

Compound Nametetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate
PubChem CID5249803
Molecular FormulaC56H100Cu4N10O6+4
Molecular Weight1263.66 g/mol
Exact Mass1260.50
IUPAC Nametetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate
SMILESCC1CC(/C=N/CCC2=CC=CC[N-]2)C(O)C(/C=N/CCC2CCCC[N-]2)C1.CC1CC(/C=N/CCC2CCCC[N-]2)C(O)C(/C=N/CCC2CCCC[N-]2)C1.O.O.ON1CCC(C2CCN(O)CC2)CC1.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/C23H40N4O.C23H36N4O.C10H20N2O2.4Cu.2H2O/c2*1-18-14-19(16-24-12-8-21-6-2-4-10-26-21)23(28)20(15-18)17-25-13-9-22-7-3-5-11-27-22;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;;;;/h16-23,28H,2-15H2,1H3;2,4,6,16-20,22-23,28H,3,5,7-15H2,1H3;9-10,13-14H,1-8H2;;;;;2*1H2/q2*-2;;4*+2;;/b2*24-16+,25-17+;;;;;;;
InChIKeyNGGOVTUPNFCKRL-YIXVVBHWSA-N
XLogP9.00
TPSA256.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.66
LogP ≤ 59.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate with MolForge

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Related Compounds

2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750705
bis(dichloromanganese);N'-(3-hydroxyiminobutan-2-ylideneamino)piperidin-1-ide-2-carboximidamide;N'-(3-hydroxyiminobutan-2-ylideneamino)-2H-pyridin-1-ide-6-carboximidamide
CID 135439303
acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
CID 5245924
dioxidanium;di(piperidin-1-id-2-yl)-(2H-pyridin-1-id-6-yl)methanol;bis(terbium(3+));tetrakis(trifluoromethanesulfonic acid);tri(piperidin-1-id-2-yl)methanol
CID 5252116
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
2-[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]ethanol
CID 82290403
2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64753048
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
CID 82750366
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
3-[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]propanoic acid
CID 61226806

Frequently Asked Questions

What is the IUPAC name of tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate?
The IUPAC name of tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate (CID 5249803) is tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate.
What is the SMILES notation for tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate?
The canonical SMILES for tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate is CC1CC(/C=N/CCC2=CC=CC[N-]2)C(O)C(/C=N/CCC2CCCC[N-]2)C1.CC1CC(/C=N/CCC2CCCC[N-]2)C(O)C(/C=N/CCC2CCCC[N-]2)C1.O.O.ON1CCC(C2CCN(O)CC2)CC1.[Cu+2].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate?
The InChIKey is NGGOVTUPNFCKRL-YIXVVBHWSA-N. The full InChI is InChI=1S/C23H40N4O.C23H36N4O.C10H20N2O2.4Cu.2H2O/c2*1-18-14-19(16-24-12-8-21-6-2-4-10-26-21)23(28)20(15-18)17-25-13-9-22-7-3-5-11-27-22;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;;;;/h16-23,28H,2-15H2,1H3;2,4,6,16-20,22-23,28H,3,5,7-15H2,1H3;9-10,13-14H,1-8H2;;;;;2*1H2/q2*-2;;4*+2;;/b2*24-16+,25-17+;;;;;;;.
What are the key properties of tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate?
tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate has a molecular weight of 1263.66 g/mol, XLogP of 9.00, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;1-hydroxy-4-(1-hydroxypiperidin-4-yl)piperidine;4-methyl-2,6-bis(2-piperidin-1-id-2-ylethyliminomethyl)cyclohexan-1-ol;4-methyl-2-(2-piperidin-1-id-2-ylethyliminomethyl)-6-[2-(2H-pyridin-1-id-6-yl)ethyliminomethyl]cyclohexan-1-ol;dihydrate is sourced from PubChem (CID 5249803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).