(4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid

C4H12N2O4P2 — CID 129275168

IUPAC(4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid
SMILESOP(O)N1CCN(P(O)O)CC1
InChIInChI=1S/C4H12N2O4P2/c7-11(8)5-1-2-6(4-3-5)12(9)10/h7-10H,1-4H2
InChIKeyLPCXWPZTFVLRCC-UHFFFAOYSA-N
MW214.10 g/mol
LogP-0.97
Rot. Bonds2

About (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid

(4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid (PubChem CID 129275168) has the molecular formula C4H12N2O4P2 and a molecular weight of 214.10 g/mol. Its IUPAC name is (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid.

Molecular Properties

Compound Name(4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid
PubChem CID129275168
Molecular FormulaC4H12N2O4P2
Molecular Weight214.10 g/mol
Exact Mass214.03
IUPAC Name(4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid
SMILESOP(O)N1CCN(P(O)O)CC1
InChIInChI=1S/C4H12N2O4P2/c7-11(8)5-1-2-6(4-3-5)12(9)10/h7-10H,1-4H2
InChIKeyLPCXWPZTFVLRCC-UHFFFAOYSA-N
XLogP-0.97
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid?
The IUPAC name of (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid (CID 129275168) is (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid.
What is the SMILES notation for (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid?
The canonical SMILES for (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid is OP(O)N1CCN(P(O)O)CC1.
What is the InChIKey of (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid?
The InChIKey is LPCXWPZTFVLRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4P2/c7-11(8)5-1-2-6(4-3-5)12(9)10/h7-10H,1-4H2.
What are the key properties of (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid?
(4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid has a molecular weight of 214.10 g/mol, XLogP of -0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dihydroxyphosphanylpiperazin-1-yl)phosphonous acid is sourced from PubChem (CID 129275168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).