1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine

C19H39N2O5P — CID 58825118

IUPAC1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OP(C)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C19H39N2O5P/c1-16(2)10-14(11-17(3,4)20(16)22)25-27(9,24)26-15-12-18(5,6)21(23)19(7,8)13-15/h14-15,22-23H,10-13H2,1-9H3
InChIKeyQGYQFIWCWXSSGG-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.66
Rot. Bonds4

About 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine

1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine (PubChem CID 58825118) has the molecular formula C19H39N2O5P and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
PubChem CID58825118
Molecular FormulaC19H39N2O5P
Molecular Weight406.50 g/mol
Exact Mass406.26
IUPAC Name1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OP(C)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C19H39N2O5P/c1-16(2)10-14(11-17(3,4)20(16)22)25-27(9,24)26-15-12-18(5,6)21(23)19(7,8)13-15/h14-15,22-23H,10-13H2,1-9H3
InChIKeyQGYQFIWCWXSSGG-UHFFFAOYSA-N
XLogP4.66
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate
CID 140879136
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
CID 22967249
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 91459045
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
4-[(4,4-dihydroxycyclohexyl)oxy-methylphosphoryl]oxycyclohexane-1,1-diol
CID 87894390
[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate
CID 123385919

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine (CID 58825118) is 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OP(C)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is QGYQFIWCWXSSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N2O5P/c1-16(2)10-14(11-17(3,4)20(16)22)25-27(9,24)26-15-12-18(5,6)21(23)19(7,8)13-15/h14-15,22-23H,10-13H2,1-9H3.
What are the key properties of 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 406.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 58825118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).