Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium

Name: Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₁₈N₂O₆P₂ — CID 139063738

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAChydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium

SMILESC1C[NH2+]CC[NH2+]1.O=P([O-])(O)CCP(=O)([O-])O

InChIInChI=1S/C4H10N2.C2H8O6P2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H2,3,4,5)(H2,6,7,8)

InChIKeyHPPSMAUVFHRSCV-UHFFFAOYSA-N

MW276.17 g/mol

LogP-4.80

Rot. Bonds3

About Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium

Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium (PubChem CID 139063738) has the molecular formula C₆H₁₈N₂O₆P₂ and a molecular weight of 276.17 g/mol. Its IUPAC name is hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium.

Molecular Properties

Compound Name	Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
PubChem CID	139063738
Molecular Formula	C₆H₁₈N₂O₆P₂
Molecular Weight	276.17 g/mol
Exact Mass	276.06
IUPAC Name	hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
SMILES	C1C[NH2+]CC[NH2+]1.O=P([O-])(O)CCP(=O)([O-])O
InChI	InChI=1S/C4H10N2.C2H8O6P2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H2,3,4,5)(H2,6,7,8)
InChIKey	HPPSMAUVFHRSCV-UHFFFAOYSA-N
XLogP	-4.80
TPSA	153.94 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.17
LogP ≤ 5	-4.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?

The IUPAC name of Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium (CID 139063738) is hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium.

What is the SMILES notation for Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?

The canonical SMILES for Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium is C1C[NH2+]CC[NH2+]1.O=P([O-])(O)CCP(=O)([O-])O.

What is the InChIKey of Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?

The InChIKey is HPPSMAUVFHRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H8O6P2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H2,3,4,5)(H2,6,7,8).

What are the key properties of Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?

Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium has a molecular weight of 276.17 g/mol, XLogP of -4.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium is sourced from PubChem (CID 139063738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 139063738 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.