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

C27H50N2O4 — CID 22608857

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate
SMILESCCCCC(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/c1-12-13-14-21(22(30)32-19-15-24(2,3)28(10)25(4,5)16-19)23(31)33-20-17-26(6,7)29(11)27(8,9)18-20/h19-21H,12-18H2,1-11H3
InChIKeyHCMAXDHDMGVMBS-UHFFFAOYSA-N
MW466.71 g/mol
LogP5.18
Rot. Bonds7

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

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate (PubChem CID 22608857) 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-butylpropanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate
PubChem CID22608857
Molecular FormulaC27H50N2O4
Molecular Weight466.71 g/mol
Exact Mass466.38
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate
SMILESCCCCC(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/c1-12-13-14-21(22(30)32-19-15-24(2,3)28(10)25(4,5)16-19)23(31)33-20-17-26(6,7)29(11)27(8,9)18-20/h19-21H,12-18H2,1-11H3
InChIKeyHCMAXDHDMGVMBS-UHFFFAOYSA-N
XLogP5.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate (CID 22608857) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate is CCCCC(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-butylpropanedioate?
The InChIKey is HCMAXDHDMGVMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O4/c1-12-13-14-21(22(30)32-19-15-24(2,3)28(10)25(4,5)16-19)23(31)33-20-17-26(6,7)29(11)27(8,9)18-20/h19-21H,12-18H2,1-11H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylpropanedioate has a molecular weight of 466.71 g/mol, XLogP of 5.18, 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-butylpropanedioate is sourced from PubChem (CID 22608857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).