oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium

C6H13NO2P+ — CID 28680070

IUPACoxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium
SMILESO=[P+]([O-])C[NH+]1CCCCC1
InChIInChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2/p+1
InChIKeyCOOQRBASIQNLJV-UHFFFAOYSA-O
MW162.15 g/mol
LogP-0.88
Rot. Bonds2

About oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium

oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium (PubChem CID 28680070) has the molecular formula C6H13NO2P+ and a molecular weight of 162.15 g/mol. Its IUPAC name is oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium.

Molecular Properties

Compound Nameoxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium
PubChem CID28680070
Molecular FormulaC6H13NO2P+
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Nameoxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium
SMILESO=[P+]([O-])C[NH+]1CCCCC1
InChIInChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2/p+1
InChIKeyCOOQRBASIQNLJV-UHFFFAOYSA-O
XLogP-0.88
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
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 oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium?
The IUPAC name of oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium (CID 28680070) is oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium.
What is the SMILES notation for oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium?
The canonical SMILES for oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium is O=[P+]([O-])C[NH+]1CCCCC1.
What is the InChIKey of oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium?
The InChIKey is COOQRBASIQNLJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2/p+1.
What are the key properties of oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium?
oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium has a molecular weight of 162.15 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium is sourced from PubChem (CID 28680070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).