aminophosphonic acid;piperazine

C4H14N3O3P — CID 175475544

IUPACaminophosphonic acid;piperazine
SMILESC1CNCCN1.NP(=O)(O)O
InChIInChI=1S/C4H10N2.H4NO3P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H4,1,2,3,4)
InChIKeyNLPQDDKBDYNSAK-UHFFFAOYSA-N
MW183.15 g/mol
LogP-1.78
Rot. Bonds

About aminophosphonic acid;piperazine

aminophosphonic acid;piperazine (PubChem CID 175475544) has the molecular formula C4H14N3O3P and a molecular weight of 183.15 g/mol. Its IUPAC name is aminophosphonic acid;piperazine.

Molecular Properties

Compound Nameaminophosphonic acid;piperazine
PubChem CID175475544
Molecular FormulaC4H14N3O3P
Molecular Weight183.15 g/mol
Exact Mass183.08
IUPAC Nameaminophosphonic acid;piperazine
SMILESC1CNCCN1.NP(=O)(O)O
InChIInChI=1S/C4H10N2.H4NO3P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H4,1,2,3,4)
InChIKeyNLPQDDKBDYNSAK-UHFFFAOYSA-N
XLogP-1.78
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of aminophosphonic acid;piperazine?
The IUPAC name of aminophosphonic acid;piperazine (CID 175475544) is aminophosphonic acid;piperazine.
What is the SMILES notation for aminophosphonic acid;piperazine?
The canonical SMILES for aminophosphonic acid;piperazine is C1CNCCN1.NP(=O)(O)O.
What is the InChIKey of aminophosphonic acid;piperazine?
The InChIKey is NLPQDDKBDYNSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.H4NO3P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H4,1,2,3,4).
What are the key properties of aminophosphonic acid;piperazine?
aminophosphonic acid;piperazine has a molecular weight of 183.15 g/mol, XLogP of -1.78, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonic acid;piperazine is sourced from PubChem (CID 175475544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).