bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate

C27H50N2O4 — CID 20512114

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCC(CC)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C27H50N2O4/c1-13-27(14-2,21(30)32-19-15-23(3,4)28(11)24(5,6)16-19)22(31)33-20-17-25(7,8)29(12)26(9,10)18-20/h19-20H,13-18H2,1-12H3
InChIKeyRLVKZFOXSWDGCL-UHFFFAOYSA-N
MW466.71 g/mol
LogP5.18
Rot. Bonds6

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate (PubChem CID 20512114) has the molecular formula C27H50N2O4 and a molecular weight of 466.71 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate
PubChem CID20512114
Molecular FormulaC27H50N2O4
Molecular Weight466.71 g/mol
Exact Mass466.38
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCC(CC)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C27H50N2O4/c1-13-27(14-2,21(30)32-19-15-23(3,4)28(11)24(5,6)16-19)22(31)33-20-17-25(7,8)29(12)26(9,10)18-20/h19-20H,13-18H2,1-12H3
InChIKeyRLVKZFOXSWDGCL-UHFFFAOYSA-N
XLogP5.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Suxemerid
CID 71419
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butylpropanedioate
CID 22608857
CID 135025541
CID 135025541
Bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate
CID 12607630
Bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 14512548
CID 16067156
CID 16067156
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate
CID 16725766
Bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate
CID 18343941
Ethylmalonic acid-bis-(1,2,2,6,6-pentamethyl-4-piperidinyl)ester
CID 20343467
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 20343478
Bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512096
Bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512097

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate (CID 20512114) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate is CCC(CC)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The InChIKey is RLVKZFOXSWDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O4/c1-13-27(14-2,21(30)32-19-15-23(3,4)28(11)24(5,6)16-19)22(31)33-20-17-25(7,8)29(12)26(9,10)18-20/h19-20H,13-18H2,1-12H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate has a molecular weight of 466.71 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate is sourced from PubChem (CID 20512114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).