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

C38H70N2O12 — CID 22743585

IUPAC4-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
SMILESCOC(=O)CCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.COC(=O)CCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C20H37NO6.C18H33NO6/c1-18(2)12-15(27-17(23)11-9-8-10-16(22)25-7)13-19(3,4)21(18)26-14-20(5,6)24;1-16(2)10-13(25-15(21)9-8-14(20)23-7)11-17(3,4)19(16)24-12-18(5,6)22/h15,24H,8-14H2,1-7H3;13,22H,8-12H2,1-7H3
InChIKeyHKWXRKPLXYOTCR-UHFFFAOYSA-N
MW746.98 g/mol
LogP5.19
Rot. Bonds16

About 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

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 (PubChem CID 22743585) has the molecular formula C38H70N2O12 and a molecular weight of 746.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID22743585
Molecular FormulaC38H70N2O12
Molecular Weight746.98 g/mol
Exact Mass746.49
IUPAC Name4-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
SMILESCOC(=O)CCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.COC(=O)CCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C20H37NO6.C18H33NO6/c1-18(2)12-15(27-17(23)11-9-8-10-16(22)25-7)13-19(3,4)21(18)26-14-20(5,6)24;1-16(2)10-13(25-15(21)9-8-14(20)23-7)11-17(3,4)19(16)24-12-18(5,6)22/h15,24H,8-14H2,1-7H3;13,22H,8-12H2,1-7H3
InChIKeyHKWXRKPLXYOTCR-UHFFFAOYSA-N
XLogP5.19
TPSA170.60 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.98
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 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
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
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
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
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
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
2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
CID 89209157
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)CCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.COC(=O)CCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is HKWXRKPLXYOTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO6.C18H33NO6/c1-18(2)12-15(27-17(23)11-9-8-10-16(22)25-7)13-19(3,4)21(18)26-14-20(5,6)24;1-16(2)10-13(25-15(21)9-8-14(20)23-7)11-17(3,4)19(16)24-12-18(5,6)22/h15,24H,8-14H2,1-7H3;13,22H,8-12H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 746.98 g/mol, XLogP of 5.19, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22743585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).