copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate

C28H54CuN4O-2 — CID 5256096

IUPACcopper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate
SMILESCC1CC(C)[N-]C(C2CC(C)CC(C)[N-]2)C1.CC1CC(C)[N-]C(C2CC(C)CC(C)[N-]2)C1.O.[Cu+2]
InChIInChI=1S/2C14H26N2.Cu.H2O/c2*1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16-14;;/h2*9-14H,5-8H2,1-4H3;;1H2/q2*-2;+2;
InChIKeyKQFXJTAMKQZZLV-UHFFFAOYSA-N
MW526.31 g/mol
LogP7.39
Rot. Bonds2

About copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate

copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate (PubChem CID 5256096) has the molecular formula C28H54CuN4O-2 and a molecular weight of 526.31 g/mol. Its IUPAC name is copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate.

Molecular Properties

Compound Namecopper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate
PubChem CID5256096
Molecular FormulaC28H54CuN4O-2
Molecular Weight526.31 g/mol
Exact Mass525.36
IUPAC Namecopper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate
SMILESCC1CC(C)[N-]C(C2CC(C)CC(C)[N-]2)C1.CC1CC(C)[N-]C(C2CC(C)CC(C)[N-]2)C1.O.[Cu+2]
InChIInChI=1S/2C14H26N2.Cu.H2O/c2*1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16-14;;/h2*9-14H,5-8H2,1-4H3;;1H2/q2*-2;+2;
InChIKeyKQFXJTAMKQZZLV-UHFFFAOYSA-N
XLogP7.39
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.31
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+);diisothiocyanate
CID 59557483
Carbanide;bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59582768
4-Methyl-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59973511
Bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride
CID 5246827
Copper bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 5252195
Copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate
CID 50920637

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate?
The IUPAC name of copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate (CID 5256096) is copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate.
What is the SMILES notation for copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate?
The canonical SMILES for copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate is CC1CC(C)[N-]C(C2CC(C)CC(C)[N-]2)C1.CC1CC(C)[N-]C(C2CC(C)CC(C)[N-]2)C1.O.[Cu+2].
What is the InChIKey of copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate?
The InChIKey is KQFXJTAMKQZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N2.Cu.H2O/c2*1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16-14;;/h2*9-14H,5-8H2,1-4H3;;1H2/q2*-2;+2;.
What are the key properties of copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate?
copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate has a molecular weight of 526.31 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate is sourced from PubChem (CID 5256096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).