bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate

C20H34N2O6-2 — CID 5000714

IUPACbis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate
SMILESCC1(C)CC(OC(=O)C(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C20H34N2O6/c1-17(2)9-13(10-18(3,4)21(17)25)27-15(23)16(24)28-14-11-19(5,6)22(26)20(7,8)12-14/h13-14H,9-12H2,1-8H3/q-2
InChIKeyHJUKYRLDKZZVAZ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.11
Rot. Bonds2

About bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate

bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate (PubChem CID 5000714) has the molecular formula C20H34N2O6-2 and a molecular weight of 398.50 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate
PubChem CID5000714
Molecular FormulaC20H34N2O6-2
Molecular Weight398.50 g/mol
Exact Mass398.24
IUPAC Namebis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate
SMILESCC1(C)CC(OC(=O)C(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C20H34N2O6/c1-17(2)9-13(10-18(3,4)21(17)25)27-15(23)16(24)28-14-11-19(5,6)22(26)20(7,8)12-14/h13-14H,9-12H2,1-8H3/q-2
InChIKeyHJUKYRLDKZZVAZ-UHFFFAOYSA-N
XLogP3.11
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate?
The IUPAC name of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate (CID 5000714) is bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate.
What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate?
The canonical SMILES for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate is CC1(C)CC(OC(=O)C(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate?
The InChIKey is HJUKYRLDKZZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O6/c1-17(2)9-13(10-18(3,4)21(17)25)27-15(23)16(24)28-14-11-19(5,6)22(26)20(7,8)12-14/h13-14H,9-12H2,1-8H3/q-2.
What are the key properties of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate?
bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate has a molecular weight of 398.50 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) oxalate is sourced from PubChem (CID 5000714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).