(4-phosphonopiperazin-1-yl)phosphonic acid

C4H12N2O6P2 — CID 90016500

IUPAC(4-phosphonopiperazin-1-yl)phosphonic acid
SMILESO=P(O)(O)N1CCN(P(=O)(O)O)CC1
InChIInChI=1S/C4H12N2O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyFLVFBDJNQHSGNM-UHFFFAOYSA-N
MW246.10 g/mol
LogP-1.21
Rot. Bonds2

About (4-phosphonopiperazin-1-yl)phosphonic acid

(4-phosphonopiperazin-1-yl)phosphonic acid (PubChem CID 90016500) has the molecular formula C4H12N2O6P2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (4-phosphonopiperazin-1-yl)phosphonic acid.

Molecular Properties

Compound Name(4-phosphonopiperazin-1-yl)phosphonic acid
PubChem CID90016500
Molecular FormulaC4H12N2O6P2
Molecular Weight246.10 g/mol
Exact Mass246.02
IUPAC Name(4-phosphonopiperazin-1-yl)phosphonic acid
SMILESO=P(O)(O)N1CCN(P(=O)(O)O)CC1
InChIInChI=1S/C4H12N2O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyFLVFBDJNQHSGNM-UHFFFAOYSA-N
XLogP-1.21
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-phosphonopiperazin-1-yl)phosphonic acid with MolForge

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

Launch Full Analysis

Related Compounds

P,P'-(1,4-piperazinediylbis(methylene))bis-phosphonic acid
CID 5161546
Diphosphinylpiperazine
CID 129767315
1,4-Bis(phosphomethyl)piperazine
CID 129861784
(4-Phosphonooxypiperazin-1-yl) dihydrogen phosphate
CID 88857521
Hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium
CID 88858307
Chloro-(4-methylpiperazin-1-yl)phosphinic acid
CID 89602227
Chloro-(4-ethylpiperazin-1-yl)phosphinic acid
CID 89602287
Hydroxy-(4-hydroxypiperazin-1-yl)oxy-oxophosphanium
CID 117730661
(4-Dihydroxyphosphanylpiperazin-1-yl)phosphonous acid
CID 129275168
Hydroxy-oxo-(4-phosphonopiperazin-1-yl)phosphanium
CID 139323264
1,4-Dimethylpiperazine;phosphono dihydrogen phosphate
CID 176205377
(4-Dioxidophosphinothioylpiperazin-1-yl)-dioxido-sulfanylidene-lambda5-phosphane
CID 3556213

Frequently Asked Questions

What is the IUPAC name of (4-phosphonopiperazin-1-yl)phosphonic acid?
The IUPAC name of (4-phosphonopiperazin-1-yl)phosphonic acid (CID 90016500) is (4-phosphonopiperazin-1-yl)phosphonic acid.
What is the SMILES notation for (4-phosphonopiperazin-1-yl)phosphonic acid?
The canonical SMILES for (4-phosphonopiperazin-1-yl)phosphonic acid is O=P(O)(O)N1CCN(P(=O)(O)O)CC1.
What is the InChIKey of (4-phosphonopiperazin-1-yl)phosphonic acid?
The InChIKey is FLVFBDJNQHSGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H2,(H2,7,8,9)(H2,10,11,12).
What are the key properties of (4-phosphonopiperazin-1-yl)phosphonic acid?
(4-phosphonopiperazin-1-yl)phosphonic acid has a molecular weight of 246.10 g/mol, XLogP of -1.21, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phosphonopiperazin-1-yl)phosphonic acid is sourced from PubChem (CID 90016500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).