lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide

C15H23CuLiN — CID 139052798

IUPAClithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide
SMILESCC1(C)CCCC(C)(C)[N-]1.[Cu+].[Li+].[c-]1ccccc1
InChIInChI=1S/C9H18N.C6H5.Cu.Li/c1-8(2)6-5-7-9(3,4)10-8;1-2-4-6-5-3-1;;/h5-7H2,1-4H3;1-5H;;/q2*-1;2*+1
InChIKeyAQSWZZWZMMVFID-UHFFFAOYSA-N
MW287.84 g/mol
LogP1.59
Rot. Bonds

About lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide

lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide (PubChem CID 139052798) has the molecular formula C15H23CuLiN and a molecular weight of 287.84 g/mol. Its IUPAC name is lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide.

Molecular Properties

Compound Namelithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide
PubChem CID139052798
Molecular FormulaC15H23CuLiN
Molecular Weight287.84 g/mol
Exact Mass287.13
IUPAC Namelithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide
SMILESCC1(C)CCCC(C)(C)[N-]1.[Cu+].[Li+].[c-]1ccccc1
InChIInChI=1S/C9H18N.C6H5.Cu.Li/c1-8(2)6-5-7-9(3,4)10-8;1-2-4-6-5-3-1;;/h5-7H2,1-4H3;1-5H;;/q2*-1;2*+1
InChIKeyAQSWZZWZMMVFID-UHFFFAOYSA-N
XLogP1.59
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide?
The IUPAC name of lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide (CID 139052798) is lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide.
What is the SMILES notation for lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide?
The canonical SMILES for lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide is CC1(C)CCCC(C)(C)[N-]1.[Cu+].[Li+].[c-]1ccccc1.
What is the InChIKey of lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide?
The InChIKey is AQSWZZWZMMVFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N.C6H5.Cu.Li/c1-8(2)6-5-7-9(3,4)10-8;1-2-4-6-5-3-1;;/h5-7H2,1-4H3;1-5H;;/q2*-1;2*+1.
What are the key properties of lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide?
lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide has a molecular weight of 287.84 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;copper(1+);2,2,6,6-tetramethylpiperidin-1-ide is sourced from PubChem (CID 139052798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).