piperidin-1-ylphosphonic acid

C5H12NO3P — CID 3088179

IUPACpiperidin-1-ylphosphonic acid
SMILESO=P(O)(O)N1CCCCC1
InChIInChI=1S/C5H12NO3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9)
InChIKeyMTFNJKRFGHJBCV-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.56
Rot. Bonds1

About piperidin-1-ylphosphonic acid

piperidin-1-ylphosphonic acid (PubChem CID 3088179) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is piperidin-1-ylphosphonic acid.

Molecular Properties

Compound Namepiperidin-1-ylphosphonic acid
PubChem CID3088179
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Namepiperidin-1-ylphosphonic acid
SMILESO=P(O)(O)N1CCCCC1
InChIInChI=1S/C5H12NO3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9)
InChIKeyMTFNJKRFGHJBCV-UHFFFAOYSA-N
XLogP0.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylphosphonic acid?
The IUPAC name of piperidin-1-ylphosphonic acid (CID 3088179) is piperidin-1-ylphosphonic acid.
What is the SMILES notation for piperidin-1-ylphosphonic acid?
The canonical SMILES for piperidin-1-ylphosphonic acid is O=P(O)(O)N1CCCCC1.
What is the InChIKey of piperidin-1-ylphosphonic acid?
The InChIKey is MTFNJKRFGHJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9).
What are the key properties of piperidin-1-ylphosphonic acid?
piperidin-1-ylphosphonic acid has a molecular weight of 165.13 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylphosphonic acid is sourced from PubChem (CID 3088179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).