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

C12H22CoI2N2-2 — CID 54610825

IUPACdiiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
SMILESC1CCC(CCC2CCCC[N-]2)[N-]C1.I[Co]I
InChIInChI=1S/C12H22N2.Co.2HI/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
InChIKeyOBGCOVXPNAISPX-UHFFFAOYSA-L
MW507.06 g/mol
LogP5.39
Rot. Bonds3

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

diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide (PubChem CID 54610825) has the molecular formula C12H22CoI2N2-2 and a molecular weight of 507.06 g/mol. Its IUPAC name is diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide.

Molecular Properties

Compound Namediiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
PubChem CID54610825
Molecular FormulaC12H22CoI2N2-2
Molecular Weight507.06 g/mol
Exact Mass506.92
IUPAC Namediiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
SMILESC1CCC(CCC2CCCC[N-]2)[N-]C1.I[Co]I
InChIInChI=1S/C12H22N2.Co.2HI/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
InChIKeyOBGCOVXPNAISPX-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 ≤ 500507.06
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
The IUPAC name of diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide (CID 54610825) is diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide.
What is the SMILES notation for diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
The canonical SMILES for diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide is C1CCC(CCC2CCCC[N-]2)[N-]C1.I[Co]I.
What is the InChIKey of diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
The InChIKey is OBGCOVXPNAISPX-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H22N2.Co.2HI/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 diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide?
diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide has a molecular weight of 507.06 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 diiodocobalt;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide is sourced from PubChem (CID 54610825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).