bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate

C24H44N2O4 — CID 4546134

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
SMILESCC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-21(2)13-17(14-22(3,4)25-21)29-19(27)11-9-10-12-20(28)30-18-15-23(5,6)26-24(7,8)16-18/h17-18,25-26H,9-16H2,1-8H3
InChIKeyUROGBLCMTWAODF-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.25
Rot. Bonds7

About bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate (PubChem CID 4546134) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
PubChem CID4546134
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
SMILESCC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-21(2)13-17(14-22(3,4)25-21)29-19(27)11-9-10-12-20(28)30-18-15-23(5,6)26-24(7,8)16-18/h17-18,25-26H,9-16H2,1-8H3
InChIKeyUROGBLCMTWAODF-UHFFFAOYSA-N
XLogP4.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate (CID 4546134) is bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate is CC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The InChIKey is UROGBLCMTWAODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-21(2)13-17(14-22(3,4)25-21)29-19(27)11-9-10-12-20(28)30-18-15-23(5,6)26-24(7,8)16-18/h17-18,25-26H,9-16H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate has a molecular weight of 424.63 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate is sourced from PubChem (CID 4546134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).