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

C6H12NO2P — CID 6372284

IUPACoxido-oxo-(piperidin-1-ylmethyl)phosphanium
SMILESO=[P+]([O-])CN1CCCCC1
InChIInChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2
InChIKeyCOOQRBASIQNLJV-UHFFFAOYSA-N
MW161.14 g/mol
LogP0.53
Rot. Bonds2

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

oxido-oxo-(piperidin-1-ylmethyl)phosphanium (PubChem CID 6372284) has the molecular formula C6H12NO2P and a molecular weight of 161.14 g/mol. Its IUPAC name is oxido-oxo-(piperidin-1-ylmethyl)phosphanium.

Molecular Properties

Compound Nameoxido-oxo-(piperidin-1-ylmethyl)phosphanium
PubChem CID6372284
Molecular FormulaC6H12NO2P
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Nameoxido-oxo-(piperidin-1-ylmethyl)phosphanium
SMILESO=[P+]([O-])CN1CCCCC1
InChIInChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2
InChIKeyCOOQRBASIQNLJV-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ylmethyl)phosphanium?
The IUPAC name of oxido-oxo-(piperidin-1-ylmethyl)phosphanium (CID 6372284) is oxido-oxo-(piperidin-1-ylmethyl)phosphanium.
What is the SMILES notation for oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
The canonical SMILES for oxido-oxo-(piperidin-1-ylmethyl)phosphanium is O=[P+]([O-])CN1CCCCC1.
What is the InChIKey of oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
The InChIKey is COOQRBASIQNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2.
What are the key properties of oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
oxido-oxo-(piperidin-1-ylmethyl)phosphanium has a molecular weight of 161.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-(piperidin-1-ylmethyl)phosphanium is sourced from PubChem (CID 6372284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).