bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate

C28H52N2O4 — CID 20574175

IUPACbis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate
SMILESCC1(C)CCCC(C)(C)N1CCOC(=O)CCCCC(=O)OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H52N2O4/c1-25(2)15-11-16-26(3,4)29(25)19-21-33-23(31)13-9-10-14-24(32)34-22-20-30-27(5,6)17-12-18-28(30,7)8/h9-22H2,1-8H3
InChIKeyBXBFHBNRDAZEAN-UHFFFAOYSA-N
MW480.73 g/mol
LogP5.72
Rot. Bonds11

About bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate

bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate (PubChem CID 20574175) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate.

Molecular Properties

Compound Namebis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate
PubChem CID20574175
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Namebis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate
SMILESCC1(C)CCCC(C)(C)N1CCOC(=O)CCCCC(=O)OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H52N2O4/c1-25(2)15-11-16-26(3,4)29(25)19-21-33-23(31)13-9-10-14-24(32)34-22-20-30-27(5,6)17-12-18-28(30,7)8/h9-22H2,1-8H3
InChIKeyBXBFHBNRDAZEAN-UHFFFAOYSA-N
XLogP5.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 55.72
H-Bond Donors ≤ 50
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-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate?
The IUPAC name of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate (CID 20574175) is bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate.
What is the SMILES notation for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate?
The canonical SMILES for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate is CC1(C)CCCC(C)(C)N1CCOC(=O)CCCCC(=O)OCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate?
The InChIKey is BXBFHBNRDAZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-25(2)15-11-16-26(3,4)29(25)19-21-33-23(31)13-9-10-14-24(32)34-22-20-30-27(5,6)17-12-18-28(30,7)8/h9-22H2,1-8H3.
What are the key properties of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate?
bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate has a molecular weight of 480.73 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate is sourced from PubChem (CID 20574175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).