[1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate

C33H64N2O5 — CID 88996640

IUPAC[1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate
SMILESCCC(C)(CC)CCCCC(=O)OC1CC(C)(C)N(CC(O)COC2CC(C)(C)N(OC)C(C)(C)C2)C(C)(C)C1
InChIInChI=1S/C33H64N2O5/c1-13-33(11,14-2)18-16-15-17-28(37)40-27-21-29(3,4)34(30(5,6)22-27)23-25(36)24-39-26-19-31(7,8)35(38-12)32(9,10)20-26/h25-27,36H,13-24H2,1-12H3
InChIKeyKBJVQELVOIJBJR-UHFFFAOYSA-N
MW568.88 g/mol
LogP6.90
Rot. Bonds14

About [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate

[1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate (PubChem CID 88996640) has the molecular formula C33H64N2O5 and a molecular weight of 568.88 g/mol. Its IUPAC name is [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate.

Molecular Properties

Compound Name[1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate
PubChem CID88996640
Molecular FormulaC33H64N2O5
Molecular Weight568.88 g/mol
Exact Mass568.48
IUPAC Name[1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate
SMILESCCC(C)(CC)CCCCC(=O)OC1CC(C)(C)N(CC(O)COC2CC(C)(C)N(OC)C(C)(C)C2)C(C)(C)C1
InChIInChI=1S/C33H64N2O5/c1-13-33(11,14-2)18-16-15-17-28(37)40-27-21-29(3,4)34(30(5,6)22-27)23-25(36)24-39-26-19-31(7,8)35(38-12)32(9,10)20-26/h25-27,36H,13-24H2,1-12H3
InChIKeyKBJVQELVOIJBJR-UHFFFAOYSA-N
XLogP6.90
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.88
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate?
The IUPAC name of [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate (CID 88996640) is [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate.
What is the SMILES notation for [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate?
The canonical SMILES for [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate is CCC(C)(CC)CCCCC(=O)OC1CC(C)(C)N(CC(O)COC2CC(C)(C)N(OC)C(C)(C)C2)C(C)(C)C1.
What is the InChIKey of [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate?
The InChIKey is KBJVQELVOIJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64N2O5/c1-13-33(11,14-2)18-16-15-17-28(37)40-27-21-29(3,4)34(30(5,6)22-27)23-25(36)24-39-26-19-31(7,8)35(38-12)32(9,10)20-26/h25-27,36H,13-24H2,1-12H3.
What are the key properties of [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate?
[1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate has a molecular weight of 568.88 g/mol, XLogP of 6.90, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] 6-ethyl-6-methyloctanoate is sourced from PubChem (CID 88996640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).