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

C35H66N2O9 — CID 158735519

IUPAC1-(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
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.CC(C)(O)CON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C17H31NO4.C13H27NO3.C5H8O2/c1-12(2)14(19)22-13-9-15(3,4)18(16(5,6)10-13)21-11-17(7,8)20;1-11(2)7-10(15)8-12(3,4)14(11)17-9-13(5,6)16;1-4(2)5(6)7-3/h13,20H,1,9-11H2,2-8H3;10,15-16H,7-9H2,1-6H3;1H2,2-3H3
InChIKeyILPZEKIGXJFFSD-UHFFFAOYSA-N
MW658.92 g/mol
LogP5.27
Rot. Bonds9

About 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

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 (PubChem CID 158735519) has the molecular formula C35H66N2O9 and a molecular weight of 658.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158735519
Molecular FormulaC35H66N2O9
Molecular Weight658.92 g/mol
Exact Mass658.48
IUPAC Name1-(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
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.CC(C)(O)CON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C17H31NO4.C13H27NO3.C5H8O2/c1-12(2)14(19)22-13-9-15(3,4)18(16(5,6)10-13)21-11-17(7,8)20;1-11(2)7-10(15)8-12(3,4)14(11)17-9-13(5,6)16;1-4(2)5(6)7-3/h13,20H,1,9-11H2,2-8H3;10,15-16H,7-9H2,1-6H3;1H2,2-3H3
InChIKeyILPZEKIGXJFFSD-UHFFFAOYSA-N
XLogP5.27
TPSA138.23 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.92
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.CC(C)(O)CON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 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?
The InChIKey is ILPZEKIGXJFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4.C13H27NO3.C5H8O2/c1-12(2)14(19)22-13-9-15(3,4)18(16(5,6)10-13)21-11-17(7,8)20;1-11(2)7-10(15)8-12(3,4)14(11)17-9-13(5,6)16;1-4(2)5(6)7-3/h13,20H,1,9-11H2,2-8H3;10,15-16H,7-9H2,1-6H3;1H2,2-3H3.
What are the key properties of 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?
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 has a molecular weight of 658.92 g/mol, XLogP of 5.27, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158735519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).