bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate

C28H52N2O4 — CID 16725766

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate
SMILESCCCCC(C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C28H52N2O4/c1-13-14-15-28(10,22(31)33-20-16-24(2,3)29(11)25(4,5)17-20)23(32)34-21-18-26(6,7)30(12)27(8,9)19-21/h20-21H,13-19H2,1-12H3
InChIKeyISYIYEKQIQVSBL-UHFFFAOYSA-N
MW480.73 g/mol
LogP5.57
Rot. Bonds7

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

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate (PubChem CID 16725766) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate
PubChem CID16725766
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate
SMILESCCCCC(C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C28H52N2O4/c1-13-14-15-28(10,22(31)33-20-16-24(2,3)29(11)25(4,5)17-20)23(32)34-21-18-26(6,7)30(12)27(8,9)19-21/h20-21H,13-19H2,1-12H3
InChIKeyISYIYEKQIQVSBL-UHFFFAOYSA-N
XLogP5.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 55.57
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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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate (CID 16725766) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate is CCCCC(C)(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-butyl-2-methylpropanedioate?
The InChIKey is ISYIYEKQIQVSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-13-14-15-28(10,22(31)33-20-16-24(2,3)29(11)25(4,5)17-20)23(32)34-21-18-26(6,7)30(12)27(8,9)19-21/h20-21H,13-19H2,1-12H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate has a molecular weight of 480.73 g/mol, XLogP of 5.57, 7 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-butyl-2-methylpropanedioate is sourced from PubChem (CID 16725766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).