[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium

C35H39NO4P+ — CID 58948114

IUPAC[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium
SMILESCC1(C)CC(OC(=O)OCc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)CC(C)(C)N1O
InChIInChI=1S/C35H39NO4P/c1-34(2)24-28(25-35(3,4)36(34)38)40-33(37)39-26-27-20-22-32(23-21-27)41(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-23,28,38H,24-26H2,1-4H3/q+1
InChIKeyTXARCDAKHUJZPQ-UHFFFAOYSA-N
MW568.67 g/mol
LogP6.37
Rot. Bonds7

About [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium

[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium (PubChem CID 58948114) has the molecular formula C35H39NO4P+ and a molecular weight of 568.67 g/mol. Its IUPAC name is [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium
PubChem CID58948114
Molecular FormulaC35H39NO4P+
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC Name[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium
SMILESCC1(C)CC(OC(=O)OCc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)CC(C)(C)N1O
InChIInChI=1S/C35H39NO4P/c1-34(2)24-28(25-35(3,4)36(34)38)40-33(37)39-26-27-20-22-32(23-21-27)41(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-23,28,38H,24-26H2,1-4H3/q+1
InChIKeyTXARCDAKHUJZPQ-UHFFFAOYSA-N
XLogP6.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) (4-methylphenyl)methyl carbonate
CID 88974835
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
[4-(2,2-dimethyl-3-phenylmethoxypropanoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163433936
5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide
CID 132989553
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-pyridin-2-ylacetate
CID 68718467
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67852784
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate
CID 139986108
1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
CID 122697085
CID 58946341
CID 58946341
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate
CID 142832127
benzyl (1-hydroxy-3-methyl-5-oxo-2H-pyrrol-2-yl) carbonate
CID 146290050

Frequently Asked Questions

What is the IUPAC name of [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium?
The IUPAC name of [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium (CID 58948114) is [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium.
What is the SMILES notation for [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium?
The canonical SMILES for [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium is CC1(C)CC(OC(=O)OCc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)CC(C)(C)N1O.
What is the InChIKey of [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium?
The InChIKey is TXARCDAKHUJZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO4P/c1-34(2)24-28(25-35(3,4)36(34)38)40-33(37)39-26-27-20-22-32(23-21-27)41(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-23,28,38H,24-26H2,1-4H3/q+1.
What are the key properties of [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium?
[4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium has a molecular weight of 568.67 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyloxymethyl]phenyl]-triphenylphosphanium is sourced from PubChem (CID 58948114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).