bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate

C36H68N2O4 — CID 22323173

IUPACbis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C
InChIInChI=1S/C36H68N2O4/c1-13-33(7)25-29(27(5)35(9,15-3)37(33)11)41-31(39)23-21-19-17-18-20-22-24-32(40)42-30-26-34(8,14-2)38(12)36(10,16-4)28(30)6/h27-30H,13-26H2,1-12H3
InChIKeyWRMAIUJBSHAUIB-UHFFFAOYSA-N
MW592.95 g/mol
LogP8.55
Rot. Bonds15

About bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate

bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate (PubChem CID 22323173) has the molecular formula C36H68N2O4 and a molecular weight of 592.95 g/mol. Its IUPAC name is bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate
PubChem CID22323173
Molecular FormulaC36H68N2O4
Molecular Weight592.95 g/mol
Exact Mass592.52
IUPAC Namebis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C
InChIInChI=1S/C36H68N2O4/c1-13-33(7)25-29(27(5)35(9,15-3)37(33)11)41-31(39)23-21-19-17-18-20-22-24-32(40)42-30-26-34(8,14-2)38(12)36(10,16-4)28(30)6/h27-30H,13-26H2,1-12H3
InChIKeyWRMAIUJBSHAUIB-UHFFFAOYSA-N
XLogP8.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.95
LogP ≤ 58.55
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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Related Compounds

6-[carboxy-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)carbamic acid
CID 21330418
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate
CID 142844351
bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
CID 54027959
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
1-O-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) 3-O-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-phenylpropanedioate
CID 89252886
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate
CID 21330442
2-(2,6-diethyl-4-methoxy-2,3,6-trimethylpiperidin-1-yl)ethanol
CID 21330339
bis(1,2,2,3-tetramethyl-1-oxidopiperidin-1-ium-4-yl) decanedioate
CID 175491558

Frequently Asked Questions

What is the IUPAC name of bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate (CID 22323173) is bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate is CCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C.
What is the InChIKey of bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate?
The InChIKey is WRMAIUJBSHAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68N2O4/c1-13-33(7)25-29(27(5)35(9,15-3)37(33)11)41-31(39)23-21-19-17-18-20-22-24-32(40)42-30-26-34(8,14-2)38(12)36(10,16-4)28(30)6/h27-30H,13-26H2,1-12H3.
What are the key properties of bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate?
bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate has a molecular weight of 592.95 g/mol, XLogP of 8.55, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 22323173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).