tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide

C10H28N3O4Zn2+5 — CID 5242374

IUPACtetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide
SMILESC1=CC(C2CC[N-]CC2)=CC[N-]1.[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].[Zn+2].[Zn+2]
InChIInChI=1S/C10H14N2.H2N.4H2O.2Zn/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;/h1-2,5,10H,3-4,6-8H2;5*1H2;;/q-2;-1;;;;;2*+2/p+4
InChIKeyQQJNTQYINYEIAI-UHFFFAOYSA-R
MW385.13 g/mol
LogP-0.38
Rot. Bonds1

About tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide

tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide (PubChem CID 5242374) has the molecular formula C10H28N3O4Zn2+5 and a molecular weight of 385.13 g/mol. Its IUPAC name is tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide.

Molecular Properties

Compound Nametetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide
PubChem CID5242374
Molecular FormulaC10H28N3O4Zn2+5
Molecular Weight385.13 g/mol
Exact Mass382.06
IUPAC Nametetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide
SMILESC1=CC(C2CC[N-]CC2)=CC[N-]1.[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].[Zn+2].[Zn+2]
InChIInChI=1S/C10H14N2.H2N.4H2O.2Zn/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;/h1-2,5,10H,3-4,6-8H2;5*1H2;;/q-2;-1;;;;;2*+2/p+4
InChIKeyQQJNTQYINYEIAI-UHFFFAOYSA-R
XLogP-0.38
TPSA193.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 6394878
CID 6394878
cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide
CID 6396339
azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate
CID 5232195
azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate
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dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)
CID 54598558
5-cyclopropylcyclohepta-1,4,6-trien-1-amine
CID 138489498
2-cyclopropyl-5-nitrocyclohexa-1,3-diene
CID 89122231
4-cyclohexa-1,5-dien-1-ylcyclohexan-1-ol
CID 142618294
(4-cyclopropylcyclohexa-2,4-dien-1-yl)boronic acid
CID 167506576
piperidin-1-id-4-ol;yttrium
CID 59420866
4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine
CID 172923036
(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane
CID 158976474

Frequently Asked Questions

What is the IUPAC name of tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide?
The IUPAC name of tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide (CID 5242374) is tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide.
What is the SMILES notation for tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide?
The canonical SMILES for tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide is C1=CC(C2CC[N-]CC2)=CC[N-]1.[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].[Zn+2].[Zn+2].
What is the InChIKey of tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide?
The InChIKey is QQJNTQYINYEIAI-UHFFFAOYSA-R. The full InChI is InChI=1S/C10H14N2.H2N.4H2O.2Zn/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;/h1-2,5,10H,3-4,6-8H2;5*1H2;;/q-2;-1;;;;;2*+2/p+4.
What are the key properties of tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide?
tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide has a molecular weight of 385.13 g/mol, XLogP of -0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraoxidanium;dizinc;azanide;4-piperidin-1-id-4-yl-2H-pyridin-1-ide is sourced from PubChem (CID 5242374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).