diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide

C12H22I2N2Zn-2 — CID 54612280

IUPACdiiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
SMILESC1CCC(CCC2CCCC[N-]2)[N-]C1.I[Zn]I
InChIInChI=1S/C12H22N2.2HI.Zn/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12;;;/h11-12H,1-10H2;2*1H;/q-2;;;+2/p-2
InChIKeyKEIOEKLWGGFWGT-UHFFFAOYSA-L
MW513.52 g/mol
LogP5.39
Rot. Bonds3

About diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide

diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide (PubChem CID 54612280) has the molecular formula C12H22I2N2Zn-2 and a molecular weight of 513.52 g/mol. Its IUPAC name is diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide.

Molecular Properties

Compound Namediiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
PubChem CID54612280
Molecular FormulaC12H22I2N2Zn-2
Molecular Weight513.52 g/mol
Exact Mass511.92
IUPAC Namediiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
SMILESC1CCC(CCC2CCCC[N-]2)[N-]C1.I[Zn]I
InChIInChI=1S/C12H22N2.2HI.Zn/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12;;;/h11-12H,1-10H2;2*1H;/q-2;;;+2/p-2
InChIKeyKEIOEKLWGGFWGT-UHFFFAOYSA-L
XLogP5.39
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
The IUPAC name of diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide (CID 54612280) is diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide.
What is the SMILES notation for diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
The canonical SMILES for diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide is C1CCC(CCC2CCCC[N-]2)[N-]C1.I[Zn]I.
What is the InChIKey of diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
The InChIKey is KEIOEKLWGGFWGT-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H22N2.2HI.Zn/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12;;;/h11-12H,1-10H2;2*1H;/q-2;;;+2/p-2.
What are the key properties of diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide has a molecular weight of 513.52 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodozinc;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide is sourced from PubChem (CID 54612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).