5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide

C32H43BrNO2P — CID 132989553

IUPAC5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide
SMILESCC1(C)CC(OCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1O.[Br-]
InChIInChI=1S/C32H43NO2P.BrH/c1-31(2)25-27(26-32(3,4)33(31)34)35-23-15-8-16-24-36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30;/h5-7,9-14,17-22,27,34H,8,15-16,23-26H2,1-4H3;1H/q+1;/p-1
InChIKeyPAESSHGSOHSIFC-UHFFFAOYSA-M
MW584.58 g/mol
LogP3.58
Rot. Bonds10

About 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide

5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide (PubChem CID 132989553) has the molecular formula C32H43BrNO2P and a molecular weight of 584.58 g/mol. Its IUPAC name is 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide
PubChem CID132989553
Molecular FormulaC32H43BrNO2P
Molecular Weight584.58 g/mol
Exact Mass583.22
IUPAC Name5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide
SMILESCC1(C)CC(OCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1O.[Br-]
InChIInChI=1S/C32H43NO2P.BrH/c1-31(2)25-27(26-32(3,4)33(31)34)35-23-15-8-16-24-36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30;/h5-7,9-14,17-22,27,34H,8,15-16,23-26H2,1-4H3;1H/q+1;/p-1
InChIKeyPAESSHGSOHSIFC-UHFFFAOYSA-M
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
9-acetyloxynonyl(triphenyl)phosphanium bromide
CID 11092632
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 135259547
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium
CID 58948114
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
triphenyl(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide?
The IUPAC name of 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide (CID 132989553) is 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide.
What is the SMILES notation for 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide?
The canonical SMILES for 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide is CC1(C)CC(OCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1O.[Br-].
What is the InChIKey of 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide?
The InChIKey is PAESSHGSOHSIFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H43NO2P.BrH/c1-31(2)25-27(26-32(3,4)33(31)34)35-23-15-8-16-24-36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30;/h5-7,9-14,17-22,27,34H,8,15-16,23-26H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide?
5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide has a molecular weight of 584.58 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide is sourced from PubChem (CID 132989553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).