1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate

C27H54N2O6 — CID 91350982

IUPAC1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate
SMILESCOC(=O)COC1CC(C)(C)N(C)C(C)(C)C1.COCC(O)COC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H29NO3.C13H25NO3/c1-13(2)7-12(8-14(3,4)15(13)5)18-10-11(16)9-17-6;1-12(2)7-10(17-9-11(15)16-6)8-13(3,4)14(12)5/h11-12,16H,7-10H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyHUVHFHJIUDULHO-UHFFFAOYSA-N
MW502.74 g/mol
LogP3.49
Rot. Bonds8

About 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate

1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate (PubChem CID 91350982) has the molecular formula C27H54N2O6 and a molecular weight of 502.74 g/mol. Its IUPAC name is 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate.

Molecular Properties

Compound Name1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate
PubChem CID91350982
Molecular FormulaC27H54N2O6
Molecular Weight502.74 g/mol
Exact Mass502.40
IUPAC Name1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate
SMILESCOC(=O)COC1CC(C)(C)N(C)C(C)(C)C1.COCC(O)COC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H29NO3.C13H25NO3/c1-13(2)7-12(8-14(3,4)15(13)5)18-10-11(16)9-17-6;1-12(2)7-10(17-9-11(15)16-6)8-13(3,4)14(12)5/h11-12,16H,7-10H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyHUVHFHJIUDULHO-UHFFFAOYSA-N
XLogP3.49
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate?
The IUPAC name of 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate (CID 91350982) is 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate.
What is the SMILES notation for 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate?
The canonical SMILES for 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate is COC(=O)COC1CC(C)(C)N(C)C(C)(C)C1.COCC(O)COC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate?
The InChIKey is HUVHFHJIUDULHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3.C13H25NO3/c1-13(2)7-12(8-14(3,4)15(13)5)18-10-11(16)9-17-6;1-12(2)7-10(17-9-11(15)16-6)8-13(3,4)14(12)5/h11-12,16H,7-10H2,1-6H3;10H,7-9H2,1-6H3.
What are the key properties of 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate?
1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate has a molecular weight of 502.74 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate is sourced from PubChem (CID 91350982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).