hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium

C4H11N2O5P2+ — CID 139323264

IUPAChydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium
SMILESO=[P+](O)N1CCN(P(=O)(O)O)CC1
InChIInChI=1S/C4H10N2O5P2/c7-12(8)5-1-3-6(4-2-5)13(9,10)11/h1-4H2,(H2-,7,8,9,10,11)/p+1
InChIKeyYWFMGURWULVTEX-UHFFFAOYSA-O
MW229.09 g/mol
LogP-0.65
Rot. Bonds2

About hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium

hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium (PubChem CID 139323264) has the molecular formula C4H11N2O5P2+ and a molecular weight of 229.09 g/mol. Its IUPAC name is hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium
PubChem CID139323264
Molecular FormulaC4H11N2O5P2+
Molecular Weight229.09 g/mol
Exact Mass229.01
IUPAC Namehydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium
SMILESO=[P+](O)N1CCN(P(=O)(O)O)CC1
InChIInChI=1S/C4H10N2O5P2/c7-12(8)5-1-3-6(4-2-5)13(9,10)11/h1-4H2,(H2-,7,8,9,10,11)/p+1
InChIKeyYWFMGURWULVTEX-UHFFFAOYSA-O
XLogP-0.65
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium?
The IUPAC name of hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium (CID 139323264) is hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium?
The canonical SMILES for hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium is O=[P+](O)N1CCN(P(=O)(O)O)CC1.
What is the InChIKey of hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium?
The InChIKey is YWFMGURWULVTEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O5P2/c7-12(8)5-1-3-6(4-2-5)13(9,10)11/h1-4H2,(H2-,7,8,9,10,11)/p+1.
What are the key properties of hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium?
hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium has a molecular weight of 229.09 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium is sourced from PubChem (CID 139323264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).