bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate

C32H50N2O5 — CID 90347319

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate
SMILESCN1C(C)(C)CC(OC(=O)C(C=Cc2ccc(CO)cc2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H50N2O5/c1-29(2)17-24(18-30(3,4)33(29)9)38-27(36)26(16-15-22-11-13-23(21-35)14-12-22)28(37)39-25-19-31(5,6)34(10)32(7,8)20-25/h11-16,24-26,35H,17-21H2,1-10H3
InChIKeyVZMKTCVWELDUIT-UHFFFAOYSA-N
MW542.76 g/mol
LogP5.20
Rot. Bonds7

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate (PubChem CID 90347319) has the molecular formula C32H50N2O5 and a molecular weight of 542.76 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate
PubChem CID90347319
Molecular FormulaC32H50N2O5
Molecular Weight542.76 g/mol
Exact Mass542.37
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate
SMILESCN1C(C)(C)CC(OC(=O)C(C=Cc2ccc(CO)cc2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H50N2O5/c1-29(2)17-24(18-30(3,4)33(29)9)38-27(36)26(16-15-22-11-13-23(21-35)14-12-22)28(37)39-25-19-31(5,6)34(10)32(7,8)20-25/h11-16,24-26,35H,17-21H2,1-10H3
InChIKeyVZMKTCVWELDUIT-UHFFFAOYSA-N
XLogP5.20
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.76
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

alpha,alpha'-Bis[1-(2-methoxycarbonylethoxy)-2,2,6,6-tetramethylpiperidin-4-yloxy]-p-xylene
CID 19834309
[1-[1-[4-(1-Hydroxyethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dimethylpropanoate
CID 20771114
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butylphenyl)-hydroxymethyl]propanedioate
CID 22630573
2-[4,4-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-2-[(3,5-ditert-butylphenyl)-hydroxymethyl]propanedioic acid
CID 53946130
Bis(1,2,2,6,6-pentamethylpiperidin-3-yl) 2-butyl-2-[(3,5-ditert-butylphenyl)-hydroxymethyl]propanedioate
CID 54315841
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[4-(hydroxymethyl)phenyl]methylidene]propanedioate
CID 57847773
3-[1-(3,5-Ditert-butylphenyl)-1-hydroxy-2-methyl-4,4-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]oxy-3-oxopropanoic acid
CID 67788022
3,3-Bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-2-phenylmethoxycarbonylpent-4-enoic acid
CID 70529839
3,3-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-phenylmethoxycarbonylpent-4-enoic acid
CID 70530080
3-O-[2,2-dimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl] 1-O-[1-(1-phenylethoxy)-2,6-di(propan-2-yl)piperidin-4-yl] propanedioate
CID 121244506
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-[4-[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxymethyl]phenyl]-1,3-dioxane-5-carboxylate
CID 132094166
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[5-(3,5-ditert-butylphenyl)-5-hydroxypentyl]propanedioate
CID 140456276

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate (CID 90347319) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate is CN1C(C)(C)CC(OC(=O)C(C=Cc2ccc(CO)cc2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate?
The InChIKey is VZMKTCVWELDUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2O5/c1-29(2)17-24(18-30(3,4)33(29)9)38-27(36)26(16-15-22-11-13-23(21-35)14-12-22)28(37)39-25-19-31(5,6)34(10)32(7,8)20-25/h11-16,24-26,35H,17-21H2,1-10H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate has a molecular weight of 542.76 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate is sourced from PubChem (CID 90347319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).