[2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid

C9H20N3O4P — CID 90387212

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid
SMILESO=P(O)(N1CCNCC1)N1CCOC(CO)C1
InChIInChI=1S/C9H20N3O4P/c13-8-9-7-12(5-6-16-9)17(14,15)11-3-1-10-2-4-11/h9-10,13H,1-8H2,(H,14,15)
InChIKeyFVEGYFYLRZNRQR-UHFFFAOYSA-N
MW265.25 g/mol
LogP-1.31
Rot. Bonds3

About [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid

[2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid (PubChem CID 90387212) has the molecular formula C9H20N3O4P and a molecular weight of 265.25 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid
PubChem CID90387212
Molecular FormulaC9H20N3O4P
Molecular Weight265.25 g/mol
Exact Mass265.12
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid
SMILESO=P(O)(N1CCNCC1)N1CCOC(CO)C1
InChIInChI=1S/C9H20N3O4P/c13-8-9-7-12(5-6-16-9)17(14,15)11-3-1-10-2-4-11/h9-10,13H,1-8H2,(H,14,15)
InChIKeyFVEGYFYLRZNRQR-UHFFFAOYSA-N
XLogP-1.31
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid (CID 90387212) is [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid is O=P(O)(N1CCNCC1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid?
The InChIKey is FVEGYFYLRZNRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3O4P/c13-8-9-7-12(5-6-16-9)17(14,15)11-3-1-10-2-4-11/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid?
[2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid has a molecular weight of 265.25 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-piperazin-1-ylphosphinic acid is sourced from PubChem (CID 90387212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).