1,4-bis(diethylphosphoryl)piperazine

C12H28N2O2P2 — CID 91621963

IUPAC1,4-bis(diethylphosphoryl)piperazine
SMILESCCP(=O)(CC)N1CCN(P(=O)(CC)CC)CC1
InChIInChI=1S/C12H28N2O2P2/c1-5-17(15,6-2)13-9-11-14(12-10-13)18(16,7-3)8-4/h5-12H2,1-4H3
InChIKeyLSXVSYBLFTZPGV-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.24
Rot. Bonds6

About 1,4-bis(diethylphosphoryl)piperazine

1,4-bis(diethylphosphoryl)piperazine (PubChem CID 91621963) has the molecular formula C12H28N2O2P2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1,4-bis(diethylphosphoryl)piperazine.

Molecular Properties

Compound Name1,4-bis(diethylphosphoryl)piperazine
PubChem CID91621963
Molecular FormulaC12H28N2O2P2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1,4-bis(diethylphosphoryl)piperazine
SMILESCCP(=O)(CC)N1CCN(P(=O)(CC)CC)CC1
InChIInChI=1S/C12H28N2O2P2/c1-5-17(15,6-2)13-9-11-14(12-10-13)18(16,7-3)8-4/h5-12H2,1-4H3
InChIKeyLSXVSYBLFTZPGV-UHFFFAOYSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(diethylphosphoryl)piperazine?
The IUPAC name of 1,4-bis(diethylphosphoryl)piperazine (CID 91621963) is 1,4-bis(diethylphosphoryl)piperazine.
What is the SMILES notation for 1,4-bis(diethylphosphoryl)piperazine?
The canonical SMILES for 1,4-bis(diethylphosphoryl)piperazine is CCP(=O)(CC)N1CCN(P(=O)(CC)CC)CC1.
What is the InChIKey of 1,4-bis(diethylphosphoryl)piperazine?
The InChIKey is LSXVSYBLFTZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2P2/c1-5-17(15,6-2)13-9-11-14(12-10-13)18(16,7-3)8-4/h5-12H2,1-4H3.
What are the key properties of 1,4-bis(diethylphosphoryl)piperazine?
1,4-bis(diethylphosphoryl)piperazine has a molecular weight of 294.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(diethylphosphoryl)piperazine is sourced from PubChem (CID 91621963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).