sodium 2,2,6,6-tetramethyl-1-oxidopiperidine

C9H18NNaO — CID 23674768

IUPACsodium 2,2,6,6-tetramethyl-1-oxidopiperidine
SMILESCC1(C)CCCC(C)(C)N1[O-].[Na+]
InChIInChI=1S/C9H18NO.Na/c1-8(2)6-5-7-9(3,4)10(8)11;/h5-7H2,1-4H3;/q-1;+1
InChIKeyIFGPJZVFKKCWJN-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.47
Rot. Bonds

About sodium 2,2,6,6-tetramethyl-1-oxidopiperidine

sodium 2,2,6,6-tetramethyl-1-oxidopiperidine (PubChem CID 23674768) has the molecular formula C9H18NNaO and a molecular weight of 179.24 g/mol. Its IUPAC name is sodium 2,2,6,6-tetramethyl-1-oxidopiperidine.

Molecular Properties

Compound Namesodium 2,2,6,6-tetramethyl-1-oxidopiperidine
PubChem CID23674768
Molecular FormulaC9H18NNaO
Molecular Weight179.24 g/mol
Exact Mass179.13
IUPAC Namesodium 2,2,6,6-tetramethyl-1-oxidopiperidine
SMILESCC1(C)CCCC(C)(C)N1[O-].[Na+]
InChIInChI=1S/C9H18NO.Na/c1-8(2)6-5-7-9(3,4)10(8)11;/h5-7H2,1-4H3;/q-1;+1
InChIKeyIFGPJZVFKKCWJN-UHFFFAOYSA-N
XLogP-0.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2,2,6,6-tetramethyl-1-oxidopiperidine?
The IUPAC name of sodium 2,2,6,6-tetramethyl-1-oxidopiperidine (CID 23674768) is sodium 2,2,6,6-tetramethyl-1-oxidopiperidine.
What is the SMILES notation for sodium 2,2,6,6-tetramethyl-1-oxidopiperidine?
The canonical SMILES for sodium 2,2,6,6-tetramethyl-1-oxidopiperidine is CC1(C)CCCC(C)(C)N1[O-].[Na+].
What is the InChIKey of sodium 2,2,6,6-tetramethyl-1-oxidopiperidine?
The InChIKey is IFGPJZVFKKCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.Na/c1-8(2)6-5-7-9(3,4)10(8)11;/h5-7H2,1-4H3;/q-1;+1.
What are the key properties of sodium 2,2,6,6-tetramethyl-1-oxidopiperidine?
sodium 2,2,6,6-tetramethyl-1-oxidopiperidine has a molecular weight of 179.24 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2,6,6-tetramethyl-1-oxidopiperidine is sourced from PubChem (CID 23674768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).