diethyl hydrogen phosphate;piperazine

C8H21N2O4P — CID 175366394

IUPACdiethyl hydrogen phosphate;piperazine
SMILESC1CNCCN1.CCOP(=O)(O)OCC
InChIInChI=1S/C4H10N2.C4H11O4P/c1-2-6-4-3-5-1;1-3-7-9(5,6)8-4-2/h5-6H,1-4H2;3-4H2,1-2H3,(H,5,6)
InChIKeyHAERLVAYTRVJJF-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.34
Rot. Bonds4

About diethyl hydrogen phosphate;piperazine

diethyl hydrogen phosphate;piperazine (PubChem CID 175366394) has the molecular formula C8H21N2O4P and a molecular weight of 240.24 g/mol. Its IUPAC name is diethyl hydrogen phosphate;piperazine.

Molecular Properties

Compound Namediethyl hydrogen phosphate;piperazine
PubChem CID175366394
Molecular FormulaC8H21N2O4P
Molecular Weight240.24 g/mol
Exact Mass240.12
IUPAC Namediethyl hydrogen phosphate;piperazine
SMILESC1CNCCN1.CCOP(=O)(O)OCC
InChIInChI=1S/C4H10N2.C4H11O4P/c1-2-6-4-3-5-1;1-3-7-9(5,6)8-4-2/h5-6H,1-4H2;3-4H2,1-2H3,(H,5,6)
InChIKeyHAERLVAYTRVJJF-UHFFFAOYSA-N
XLogP0.34
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole
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Frequently Asked Questions

What is the IUPAC name of diethyl hydrogen phosphate;piperazine?
The IUPAC name of diethyl hydrogen phosphate;piperazine (CID 175366394) is diethyl hydrogen phosphate;piperazine.
What is the SMILES notation for diethyl hydrogen phosphate;piperazine?
The canonical SMILES for diethyl hydrogen phosphate;piperazine is C1CNCCN1.CCOP(=O)(O)OCC.
What is the InChIKey of diethyl hydrogen phosphate;piperazine?
The InChIKey is HAERLVAYTRVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C4H11O4P/c1-2-6-4-3-5-1;1-3-7-9(5,6)8-4-2/h5-6H,1-4H2;3-4H2,1-2H3,(H,5,6).
What are the key properties of diethyl hydrogen phosphate;piperazine?
diethyl hydrogen phosphate;piperazine has a molecular weight of 240.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphate;piperazine is sourced from PubChem (CID 175366394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).