1-diphenylphosphorylpiperazine

C16H19N2OP — CID 22397667

IUPAC1-diphenylphosphorylpiperazine
SMILESO=P(c1ccccc1)(c1ccccc1)N1CCNCC1
InChIInChI=1S/C16H19N2OP/c19-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18-13-11-17-12-14-18/h1-10,17H,11-14H2
InChIKeyMFUFZZCZFPTBIL-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.82
Rot. Bonds3

About 1-diphenylphosphorylpiperazine

1-diphenylphosphorylpiperazine (PubChem CID 22397667) has the molecular formula C16H19N2OP and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-diphenylphosphorylpiperazine.

Molecular Properties

Compound Name1-diphenylphosphorylpiperazine
PubChem CID22397667
Molecular FormulaC16H19N2OP
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name1-diphenylphosphorylpiperazine
SMILESO=P(c1ccccc1)(c1ccccc1)N1CCNCC1
InChIInChI=1S/C16H19N2OP/c19-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18-13-11-17-12-14-18/h1-10,17H,11-14H2
InChIKeyMFUFZZCZFPTBIL-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
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-diphenylphosphorylpiperazine?
The IUPAC name of 1-diphenylphosphorylpiperazine (CID 22397667) is 1-diphenylphosphorylpiperazine.
What is the SMILES notation for 1-diphenylphosphorylpiperazine?
The canonical SMILES for 1-diphenylphosphorylpiperazine is O=P(c1ccccc1)(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-diphenylphosphorylpiperazine?
The InChIKey is MFUFZZCZFPTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2OP/c19-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18-13-11-17-12-14-18/h1-10,17H,11-14H2.
What are the key properties of 1-diphenylphosphorylpiperazine?
1-diphenylphosphorylpiperazine has a molecular weight of 286.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylpiperazine is sourced from PubChem (CID 22397667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).