azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate

C20H44Cd3N6O2 — CID 5256520

IUPACazanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate
SMILESC1CC(C2CC[N-]CC2)CC[N-]1.C1CC(C2CC[N-]CC2)CC[N-]1.O.O.[Cd+2].[Cd+2].[Cd+2].[NH2-].[NH2-]
InChIInChI=1S/2C10H18N2.3Cd.2H2N.2H2O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;/h2*9-10H,1-8H2;;;;4*1H2/q2*-2;3*+2;2*-1;;
InChIKeyFJTHTPVKMAZYDV-UHFFFAOYSA-N
MW737.85 g/mol
LogP4.88
Rot. Bonds2

About azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate

azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate (PubChem CID 5256520) has the molecular formula C20H44Cd3N6O2 and a molecular weight of 737.85 g/mol. Its IUPAC name is azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate.

Molecular Properties

Compound Nameazanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate
PubChem CID5256520
Molecular FormulaC20H44Cd3N6O2
Molecular Weight737.85 g/mol
Exact Mass742.06
IUPAC Nameazanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate
SMILESC1CC(C2CC[N-]CC2)CC[N-]1.C1CC(C2CC[N-]CC2)CC[N-]1.O.O.[Cd+2].[Cd+2].[Cd+2].[NH2-].[NH2-]
InChIInChI=1S/2C10H18N2.3Cd.2H2N.2H2O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;/h2*9-10H,1-8H2;;;;4*1H2/q2*-2;3*+2;2*-1;;
InChIKeyFJTHTPVKMAZYDV-UHFFFAOYSA-N
XLogP4.88
TPSA186.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500737.85
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 58235425
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CID 171376826
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CID 145007707
bicyclo[2.2.0]hexane
CID 158697132
tetrakis(4-methylpiperidin-1-ide);nickel;dithiocyanate
CID 54602171
potassium methylidene(piperidin-1-id-4-yl)borane
CID 162303909
tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide
CID 5242374
nickel(2+);1,4,8,11-tetrazanidacyclopentadecane
CID 50896977
pyrrolidin-1-id-3-ol
CID 19746377

Frequently Asked Questions

What is the IUPAC name of azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate?
The IUPAC name of azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate (CID 5256520) is azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate.
What is the SMILES notation for azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate?
The canonical SMILES for azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate is C1CC(C2CC[N-]CC2)CC[N-]1.C1CC(C2CC[N-]CC2)CC[N-]1.O.O.[Cd+2].[Cd+2].[Cd+2].[NH2-].[NH2-].
What is the InChIKey of azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate?
The InChIKey is FJTHTPVKMAZYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.3Cd.2H2N.2H2O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;/h2*9-10H,1-8H2;;;;4*1H2/q2*-2;3*+2;2*-1;;.
What are the key properties of azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate?
azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate has a molecular weight of 737.85 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate is sourced from PubChem (CID 5256520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).