1,1'-biphenyl;phosphoric acid;piperazine

C16H23N2O4P — CID 67592492

IUPAC1,1'-biphenyl;phosphoric acid;piperazine
SMILESC1CNCCN1.O=P(O)(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10N2.H3O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-4-3-5-1;1-5(2,3)4/h1-10H;5-6H,1-4H2;(H3,1,2,3,4)
InChIKeyCQFSLQZVZVANSY-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.60
Rot. Bonds1

About 1,1'-biphenyl;phosphoric acid;piperazine

1,1'-biphenyl;phosphoric acid;piperazine (PubChem CID 67592492) has the molecular formula C16H23N2O4P and a molecular weight of 338.34 g/mol. Its IUPAC name is 1,1'-biphenyl;phosphoric acid;piperazine.

Molecular Properties

Compound Name1,1'-biphenyl;phosphoric acid;piperazine
PubChem CID67592492
Molecular FormulaC16H23N2O4P
Molecular Weight338.34 g/mol
Exact Mass338.14
IUPAC Name1,1'-biphenyl;phosphoric acid;piperazine
SMILESC1CNCCN1.O=P(O)(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10N2.H3O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-4-3-5-1;1-5(2,3)4/h1-10H;5-6H,1-4H2;(H3,1,2,3,4)
InChIKeyCQFSLQZVZVANSY-UHFFFAOYSA-N
XLogP1.60
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;phosphoric acid;piperazine?
The IUPAC name of 1,1'-biphenyl;phosphoric acid;piperazine (CID 67592492) is 1,1'-biphenyl;phosphoric acid;piperazine.
What is the SMILES notation for 1,1'-biphenyl;phosphoric acid;piperazine?
The canonical SMILES for 1,1'-biphenyl;phosphoric acid;piperazine is C1CNCCN1.O=P(O)(O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;phosphoric acid;piperazine?
The InChIKey is CQFSLQZVZVANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H10N2.H3O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-4-3-5-1;1-5(2,3)4/h1-10H;5-6H,1-4H2;(H3,1,2,3,4).
What are the key properties of 1,1'-biphenyl;phosphoric acid;piperazine?
1,1'-biphenyl;phosphoric acid;piperazine has a molecular weight of 338.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;phosphoric acid;piperazine is sourced from PubChem (CID 67592492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).