bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate

C24H44N2O6 — CID 57039687

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
SMILESCC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C24H44N2O6/c1-21(2)13-17(14-22(3,4)25(21)29)31-19(27)11-9-10-12-20(28)32-18-15-23(5,6)26(30)24(7,8)16-18/h17-18,29-30H,9-16H2,1-8H3
InChIKeySIXHNVLZVKYFOR-UHFFFAOYSA-N
MW456.62 g/mol
LogP4.45
Rot. Bonds7

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate (PubChem CID 57039687) has the molecular formula C24H44N2O6 and a molecular weight of 456.62 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
PubChem CID57039687
Molecular FormulaC24H44N2O6
Molecular Weight456.62 g/mol
Exact Mass456.32
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
SMILESCC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C24H44N2O6/c1-21(2)13-17(14-22(3,4)25(21)29)31-19(27)11-9-10-12-20(28)32-18-15-23(5,6)26(30)24(7,8)16-18/h17-18,29-30H,9-16H2,1-8H3
InChIKeySIXHNVLZVKYFOR-UHFFFAOYSA-N
XLogP4.45
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate (CID 57039687) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate is CC1(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The InChIKey is SIXHNVLZVKYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O6/c1-21(2)13-17(14-22(3,4)25(21)29)31-19(27)11-9-10-12-20(28)32-18-15-23(5,6)26(30)24(7,8)16-18/h17-18,29-30H,9-16H2,1-8H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate has a molecular weight of 456.62 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate is sourced from PubChem (CID 57039687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).