[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate

C30H45Br2NO7 — CID 101364279

IUPAC[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCC(C)(COC(=O)C(C)(C)Br)C(=O)OCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C30H45Br2NO7/c1-26(2)16-13-17-27(3,4)33(26)40-22(21-14-11-10-12-15-21)18-37-25(36)30(9,19-38-23(34)28(5,6)31)20-39-24(35)29(7,8)32/h10-12,14-15,22H,13,16-20H2,1-9H3
InChIKeyOGGWWANOTQTFOV-UHFFFAOYSA-N
MW691.50 g/mol
LogP6.69
Rot. Bonds12

About [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate

[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate (PubChem CID 101364279) has the molecular formula C30H45Br2NO7 and a molecular weight of 691.50 g/mol. Its IUPAC name is [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate.

Molecular Properties

Compound Name[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
PubChem CID101364279
Molecular FormulaC30H45Br2NO7
Molecular Weight691.50 g/mol
Exact Mass689.16
IUPAC Name[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCC(C)(COC(=O)C(C)(C)Br)C(=O)OCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C30H45Br2NO7/c1-26(2)16-13-17-27(3,4)33(26)40-22(21-14-11-10-12-15-21)18-37-25(36)30(9,19-38-23(34)28(5,6)31)20-39-24(35)29(7,8)32/h10-12,14-15,22H,13,16-20H2,1-9H3
InChIKeyOGGWWANOTQTFOV-UHFFFAOYSA-N
XLogP6.69
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
CID 22277884
chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 87540495
chloro-dimethyl-[9-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]nonyl]silane
CID 100969512
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine
CID 101226417
2-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino]ethanol
CID 143114964
methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 102140721
tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate
CID 89460072
[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
CID 139213166
[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate
CID 139826886

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate?
The IUPAC name of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate (CID 101364279) is [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate.
What is the SMILES notation for [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate?
The canonical SMILES for [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate is CC(C)(Br)C(=O)OCC(C)(COC(=O)C(C)(C)Br)C(=O)OCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate?
The InChIKey is OGGWWANOTQTFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45Br2NO7/c1-26(2)16-13-17-27(3,4)33(26)40-22(21-14-11-10-12-15-21)18-37-25(36)30(9,19-38-23(34)28(5,6)31)20-39-24(35)29(7,8)32/h10-12,14-15,22H,13,16-20H2,1-9H3.
What are the key properties of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate?
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate has a molecular weight of 691.50 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate is sourced from PubChem (CID 101364279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).