1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane

C50H110N4O11 — CID 161062825

IUPAC1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane
SMILESC.C.C.C.CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.COC1CC(C)(C)N(O)C(C)(C)C1.COCCCOC1CC(C)(C)N(O)C(C)(C)C1.COCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO3.C12H25NO3.C11H21NO3.C10H21NO2.4CH4/c1-12(2)9-11(17-8-6-7-16-5)10-13(3,4)14(12)15;1-11(2)8-10(16-7-6-15-5)9-12(3,4)13(11)14;1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;1-9(2)6-8(13-5)7-10(3,4)11(9)12;;;;/h11,15H,6-10H2,1-5H3;10,14H,6-9H2,1-5H3;9,14H,6-7H2,1-5H3;8,12H,6-7H2,1-5H3;4*1H4
InChIKeyGRSVUVQOYLWJLO-UHFFFAOYSA-N
MW943.45 g/mol
LogP11.06
Rot. Bonds11

About 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane

1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane (PubChem CID 161062825) has the molecular formula C50H110N4O11 and a molecular weight of 943.45 g/mol. Its IUPAC name is 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane.

Molecular Properties

Compound Name1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane
PubChem CID161062825
Molecular FormulaC50H110N4O11
Molecular Weight943.45 g/mol
Exact Mass942.82
IUPAC Name1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane
SMILESC.C.C.C.CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.COC1CC(C)(C)N(O)C(C)(C)C1.COCCCOC1CC(C)(C)N(O)C(C)(C)C1.COCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO3.C12H25NO3.C11H21NO3.C10H21NO2.4CH4/c1-12(2)9-11(17-8-6-7-16-5)10-13(3,4)14(12)15;1-11(2)8-10(16-7-6-15-5)9-12(3,4)13(11)14;1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;1-9(2)6-8(13-5)7-10(3,4)11(9)12;;;;/h11,15H,6-10H2,1-5H3;10,14H,6-9H2,1-5H3;9,14H,6-7H2,1-5H3;8,12H,6-7H2,1-5H3;4*1H4
InChIKeyGRSVUVQOYLWJLO-UHFFFAOYSA-N
XLogP11.06
TPSA166.33 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms65
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.45
LogP ≤ 511.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane?
The IUPAC name of 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane (CID 161062825) is 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane.
What is the SMILES notation for 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane?
The canonical SMILES for 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane is C.C.C.C.CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.COC1CC(C)(C)N(O)C(C)(C)C1.COCCCOC1CC(C)(C)N(O)C(C)(C)C1.COCCOC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane?
The InChIKey is GRSVUVQOYLWJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.C12H25NO3.C11H21NO3.C10H21NO2.4CH4/c1-12(2)9-11(17-8-6-7-16-5)10-13(3,4)14(12)15;1-11(2)8-10(16-7-6-15-5)9-12(3,4)13(11)14;1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;1-9(2)6-8(13-5)7-10(3,4)11(9)12;;;;/h11,15H,6-10H2,1-5H3;10,14H,6-9H2,1-5H3;9,14H,6-7H2,1-5H3;8,12H,6-7H2,1-5H3;4*1H4.
What are the key properties of 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane?
1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane has a molecular weight of 943.45 g/mol, XLogP of 11.06, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane is sourced from PubChem (CID 161062825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).