[phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid

C6H16NO6P2+ — CID 5276537

IUPAC[phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid
SMILESO=P(O)(O)C([NH+]1CCCCC1)P(=O)(O)O
InChIInChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)/p+1
InChIKeyJTLZXDRXWWHVHX-UHFFFAOYSA-O
MW260.14 g/mol
LogP-1.31
Rot. Bonds3

About [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid

[phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid (PubChem CID 5276537) has the molecular formula C6H16NO6P2+ and a molecular weight of 260.14 g/mol. Its IUPAC name is [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid.

Molecular Properties

Compound Name[phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid
PubChem CID5276537
Molecular FormulaC6H16NO6P2+
Molecular Weight260.14 g/mol
Exact Mass260.04
IUPAC Name[phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid
SMILESO=P(O)(O)C([NH+]1CCCCC1)P(=O)(O)O
InChIInChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)/p+1
InChIKeyJTLZXDRXWWHVHX-UHFFFAOYSA-O
XLogP-1.31
TPSA119.50 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid?
The IUPAC name of [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid (CID 5276537) is [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid.
What is the SMILES notation for [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid?
The canonical SMILES for [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid is O=P(O)(O)C([NH+]1CCCCC1)P(=O)(O)O.
What is the InChIKey of [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid?
The InChIKey is JTLZXDRXWWHVHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)/p+1.
What are the key properties of [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid?
[phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid has a molecular weight of 260.14 g/mol, XLogP of -1.31, 3 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphono(piperidin-1-ium-1-yl)methyl]phosphonic acid is sourced from PubChem (CID 5276537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).