1,4-bis(diphenoxyphosphoryl)piperazine

C28H28N2O6P2 — CID 4226223

IUPAC1,4-bis(diphenoxyphosphoryl)piperazine
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)N1CCN(P(=O)(Oc2ccccc2)Oc2ccccc2)CC1
InChIInChI=1S/C28H28N2O6P2/c31-37(33-25-13-5-1-6-14-25,34-26-15-7-2-8-16-26)29-21-23-30(24-22-29)38(32,35-27-17-9-3-10-18-27)36-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyGUBDKOZOFLSTLP-UHFFFAOYSA-N
MW550.49 g/mol
LogP7.14
Rot. Bonds10

About 1,4-bis(diphenoxyphosphoryl)piperazine

1,4-bis(diphenoxyphosphoryl)piperazine (PubChem CID 4226223) has the molecular formula C28H28N2O6P2 and a molecular weight of 550.49 g/mol. Its IUPAC name is 1,4-bis(diphenoxyphosphoryl)piperazine.

Molecular Properties

Compound Name1,4-bis(diphenoxyphosphoryl)piperazine
PubChem CID4226223
Molecular FormulaC28H28N2O6P2
Molecular Weight550.49 g/mol
Exact Mass550.14
IUPAC Name1,4-bis(diphenoxyphosphoryl)piperazine
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)N1CCN(P(=O)(Oc2ccccc2)Oc2ccccc2)CC1
InChIInChI=1S/C28H28N2O6P2/c31-37(33-25-13-5-1-6-14-25,34-26-15-7-2-8-16-26)29-21-23-30(24-22-29)38(32,35-27-17-9-3-10-18-27)36-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyGUBDKOZOFLSTLP-UHFFFAOYSA-N
XLogP7.14
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.49
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
1-diphenoxyphosphorylpyrrol-2-amine
CID 175549047
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol
CID 10831350
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
potassium diphenyl phosphate
CID 23671717

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(diphenoxyphosphoryl)piperazine?
The IUPAC name of 1,4-bis(diphenoxyphosphoryl)piperazine (CID 4226223) is 1,4-bis(diphenoxyphosphoryl)piperazine.
What is the SMILES notation for 1,4-bis(diphenoxyphosphoryl)piperazine?
The canonical SMILES for 1,4-bis(diphenoxyphosphoryl)piperazine is O=P(Oc1ccccc1)(Oc1ccccc1)N1CCN(P(=O)(Oc2ccccc2)Oc2ccccc2)CC1.
What is the InChIKey of 1,4-bis(diphenoxyphosphoryl)piperazine?
The InChIKey is GUBDKOZOFLSTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6P2/c31-37(33-25-13-5-1-6-14-25,34-26-15-7-2-8-16-26)29-21-23-30(24-22-29)38(32,35-27-17-9-3-10-18-27)36-28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 1,4-bis(diphenoxyphosphoryl)piperazine?
1,4-bis(diphenoxyphosphoryl)piperazine has a molecular weight of 550.49 g/mol, XLogP of 7.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(diphenoxyphosphoryl)piperazine is sourced from PubChem (CID 4226223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).