bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate

C31H55N3O7 — CID 71191761

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate
SMILESCC1(C)CC(=C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C31H55N3O7/c1-26(2)14-20(15-27(3,4)32(26)37)23(25(36)41-22-18-30(9,10)34(39)31(11,12)19-22)13-24(35)40-21-16-28(5,6)33(38)29(7,8)17-21/h21-22,37-39H,13-19H2,1-12H3
InChIKeyIXZDFKJZEREAFT-UHFFFAOYSA-N
MW581.80 g/mol
LogP5.62
Rot. Bonds5

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate (PubChem CID 71191761) has the molecular formula C31H55N3O7 and a molecular weight of 581.80 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate
PubChem CID71191761
Molecular FormulaC31H55N3O7
Molecular Weight581.80 g/mol
Exact Mass581.40
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate
SMILESCC1(C)CC(=C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C31H55N3O7/c1-26(2)14-20(15-27(3,4)32(26)37)23(25(36)41-22-18-30(9,10)34(39)31(11,12)19-22)13-24(35)40-21-16-28(5,6)33(38)29(7,8)17-21/h21-22,37-39H,13-19H2,1-12H3
InChIKeyIXZDFKJZEREAFT-UHFFFAOYSA-N
XLogP5.62
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.80
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate (CID 71191761) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate is CC1(C)CC(=C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate?
The InChIKey is IXZDFKJZEREAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55N3O7/c1-26(2)14-20(15-27(3,4)32(26)37)23(25(36)41-22-18-30(9,10)34(39)31(11,12)19-22)13-24(35)40-21-16-28(5,6)33(38)29(7,8)17-21/h21-22,37-39H,13-19H2,1-12H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate has a molecular weight of 581.80 g/mol, XLogP of 5.62, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate is sourced from PubChem (CID 71191761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).