1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

C20H32BrNO4 — CID 11835442

IUPAC1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CC(O)COCCOc1ccc(Br)cc1
InChIInChI=1S/C20H32BrNO4/c1-19(2)11-16(23)12-20(3,4)22(19)13-17(24)14-25-9-10-26-18-7-5-15(21)6-8-18/h5-8,16-17,23-24H,9-14H2,1-4H3
InChIKeyOKFKOFUEXTUYIG-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.22
Rot. Bonds8

About 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 11835442) has the molecular formula C20H32BrNO4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID11835442
Molecular FormulaC20H32BrNO4
Molecular Weight430.38 g/mol
Exact Mass429.15
IUPAC Name1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CC(O)COCCOc1ccc(Br)cc1
InChIInChI=1S/C20H32BrNO4/c1-19(2)11-16(23)12-20(3,4)22(19)13-17(24)14-25-9-10-26-18-7-5-15(21)6-8-18/h5-8,16-17,23-24H,9-14H2,1-4H3
InChIKeyOKFKOFUEXTUYIG-UHFFFAOYSA-N
XLogP3.22
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 11835442) is 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1CC(O)COCCOc1ccc(Br)cc1.
What is the InChIKey of 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is OKFKOFUEXTUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BrNO4/c1-19(2)11-16(23)12-20(3,4)22(19)13-17(24)14-25-9-10-26-18-7-5-15(21)6-8-18/h5-8,16-17,23-24H,9-14H2,1-4H3.
What are the key properties of 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 430.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 11835442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).