1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate

C48H87N3O12 — CID 18728785

IUPAC1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate
SMILESCC(=O)CCCCC(=O)OC1CC(C)(C)N(OCC(C)(O)CON2C(C)(C)CC(OC(=O)CCCCC(=O)OC3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C48H87N3O12/c1-34(52)21-17-18-22-38(53)61-36-27-43(6,7)50(44(8,9)28-36)59-32-48(16,57)33-60-51-45(10,11)29-37(30-46(51,12)13)63-40(55)24-20-19-23-39(54)62-35-25-41(2,3)49(42(4,5)26-35)58-31-47(14,15)56/h35-37,56-57H,17-33H2,1-16H3
InChIKeyDUVQJGLBURDSGN-UHFFFAOYSA-N
MW898.23 g/mol
LogP7.71
Rot. Bonds22

About 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate

1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate (PubChem CID 18728785) has the molecular formula C48H87N3O12 and a molecular weight of 898.23 g/mol. Its IUPAC name is 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate.

Molecular Properties

Compound Name1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate
PubChem CID18728785
Molecular FormulaC48H87N3O12
Molecular Weight898.23 g/mol
Exact Mass897.63
IUPAC Name1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate
SMILESCC(=O)CCCCC(=O)OC1CC(C)(C)N(OCC(C)(O)CON2C(C)(C)CC(OC(=O)CCCCC(=O)OC3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C48H87N3O12/c1-34(52)21-17-18-22-38(53)61-36-27-43(6,7)50(44(8,9)28-36)59-32-48(16,57)33-60-51-45(10,11)29-37(30-46(51,12)13)63-40(55)24-20-19-23-39(54)62-35-25-41(2,3)49(42(4,5)26-35)58-31-47(14,15)56/h35-37,56-57H,17-33H2,1-16H3
InChIKeyDUVQJGLBURDSGN-UHFFFAOYSA-N
XLogP7.71
TPSA173.84 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.23
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate with MolForge

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Related Compounds

10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858
4-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl butanedioate;6-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl hexanedioate
CID 22743585
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol;[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158735519
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828
2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
CID 89209157
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450

Frequently Asked Questions

What is the IUPAC name of 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate?
The IUPAC name of 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate (CID 18728785) is 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate.
What is the SMILES notation for 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate?
The canonical SMILES for 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate is CC(=O)CCCCC(=O)OC1CC(C)(C)N(OCC(C)(O)CON2C(C)(C)CC(OC(=O)CCCCC(=O)OC3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)CC2(C)C)C(C)(C)C1.
What is the InChIKey of 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate?
The InChIKey is DUVQJGLBURDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H87N3O12/c1-34(52)21-17-18-22-38(53)61-36-27-43(6,7)50(44(8,9)28-36)59-32-48(16,57)33-60-51-45(10,11)29-37(30-46(51,12)13)63-40(55)24-20-19-23-39(54)62-35-25-41(2,3)49(42(4,5)26-35)58-31-47(14,15)56/h35-37,56-57H,17-33H2,1-16H3.
What are the key properties of 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate?
1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate has a molecular weight of 898.23 g/mol, XLogP of 7.71, 22 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate is sourced from PubChem (CID 18728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).