bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate

C41H77N3O6 — CID 161160145

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H52N2O4.C13H25NO2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-6-7-11(15)16-10-8-12(2,3)14-13(4,5)9-10/h21-22,29-30H,9-20H2,1-8H3;10,14H,6-9H2,1-5H3
InChIKeyUPUVXRYAJDEHJU-UHFFFAOYSA-N
MW708.08 g/mol
LogP8.45
Rot. Bonds14

About bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate (PubChem CID 161160145) has the molecular formula C41H77N3O6 and a molecular weight of 708.08 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
PubChem CID161160145
Molecular FormulaC41H77N3O6
Molecular Weight708.08 g/mol
Exact Mass707.58
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H52N2O4.C13H25NO2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-6-7-11(15)16-10-8-12(2,3)14-13(4,5)9-10/h21-22,29-30H,9-20H2,1-8H3;10,14H,6-9H2,1-5H3
InChIKeyUPUVXRYAJDEHJU-UHFFFAOYSA-N
XLogP8.45
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.08
LogP ≤ 58.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
bis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) heptanedioate
CID 121244522
bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate
CID 150982146
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268
1-O-[3-methyl-3-(2-methylbutan-2-ylamino)butyl] 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 123374150
1-O-(2-hydroxyethyl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 70364233
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-10-oxodecanoate;(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxo-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoate
CID 160634307
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate (CID 161160145) is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate?
The InChIKey is UPUVXRYAJDEHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4.C13H25NO2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-6-7-11(15)16-10-8-12(2,3)14-13(4,5)9-10/h21-22,29-30H,9-20H2,1-8H3;10,14H,6-9H2,1-5H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate has a molecular weight of 708.08 g/mol, XLogP of 8.45, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate is sourced from PubChem (CID 161160145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).