bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate

C31H58N2O4 — CID 20512097

IUPACbis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCC1(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1
InChIInChI=1S/C31H58N2O4/c1-13-27(9)19-23(21(7)29(11,15-3)32-27)36-25(34)31(17-5,18-6)26(35)37-24-20-28(10,14-2)33-30(12,16-4)22(24)8/h21-24,32-33H,13-20H2,1-12H3
InChIKeyZVFIILGXJVXSJV-UHFFFAOYSA-N
MW522.82 g/mol
LogP6.55
Rot. Bonds10

About bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate

bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate (PubChem CID 20512097) has the molecular formula C31H58N2O4 and a molecular weight of 522.82 g/mol. Its IUPAC name is bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate.

Molecular Properties

Compound Namebis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate
PubChem CID20512097
Molecular FormulaC31H58N2O4
Molecular Weight522.82 g/mol
Exact Mass522.44
IUPAC Namebis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCC1(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1
InChIInChI=1S/C31H58N2O4/c1-13-27(9)19-23(21(7)29(11,15-3)32-27)36-25(34)31(17-5,18-6)26(35)37-24-20-28(10,14-2)33-30(12,16-4)22(24)8/h21-24,32-33H,13-20H2,1-12H3
InChIKeyZVFIILGXJVXSJV-UHFFFAOYSA-N
XLogP6.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 1244568
Bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
CID 14512544
1-O,1-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,1,1,2-tetracarboxylate
CID 17972259
1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1-tricarboxylate
CID 17972260
Diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate
CID 19818848
Butylmalonic acid-bis(2,3,6-trimethyl-2,6-diethyl-4-piperidinyl)ester
CID 20343463
Ethylmalonic acid-bis(2,2,6,6-tetramethyl-4-piperidinyl)ester
CID 20343470
(2,6-Diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate
CID 20506924
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512114
Bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate
CID 20512124
Bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
Bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate
CID 20512162

Frequently Asked Questions

What is the IUPAC name of bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The IUPAC name of bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate (CID 20512097) is bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate.
What is the SMILES notation for bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The canonical SMILES for bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate is CCC1(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1.
What is the InChIKey of bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate?
The InChIKey is ZVFIILGXJVXSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N2O4/c1-13-27(9)19-23(21(7)29(11,15-3)32-27)36-25(34)31(17-5,18-6)26(35)37-24-20-28(10,14-2)33-30(12,16-4)22(24)8/h21-24,32-33H,13-20H2,1-12H3.
What are the key properties of bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate?
bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate has a molecular weight of 522.82 g/mol, XLogP of 6.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2,2-diethylpropanedioate is sourced from PubChem (CID 20512097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).