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

C6H12NNaO2P+ — CID 6377294

IUPACsodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium
SMILESO=[P+]([O-])CN1CCCCC1.[Na+]
InChIInChI=1S/C6H12NO2P.Na/c8-10(9)6-7-4-2-1-3-5-7;/h1-6H2;/q;+1
InChIKeyWVRGLZMZGYXBHQ-UHFFFAOYSA-N
MW184.13 g/mol
LogP-2.46
Rot. Bonds2

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

sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium (PubChem CID 6377294) has the molecular formula C6H12NNaO2P+ and a molecular weight of 184.13 g/mol. Its IUPAC name is sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium
PubChem CID6377294
Molecular FormulaC6H12NNaO2P+
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Namesodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium
SMILESO=[P+]([O-])CN1CCCCC1.[Na+]
InChIInChI=1S/C6H12NO2P.Na/c8-10(9)6-7-4-2-1-3-5-7;/h1-6H2;/q;+1
InChIKeyWVRGLZMZGYXBHQ-UHFFFAOYSA-N
XLogP-2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-2.46
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 sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
The IUPAC name of sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium (CID 6377294) is sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium.
What is the SMILES notation for sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
The canonical SMILES for sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium is O=[P+]([O-])CN1CCCCC1.[Na+].
What is the InChIKey of sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
The InChIKey is WVRGLZMZGYXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2P.Na/c8-10(9)6-7-4-2-1-3-5-7;/h1-6H2;/q;+1.
What are the key properties of sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium?
sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium has a molecular weight of 184.13 g/mol, XLogP of -2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(piperidin-1-ylmethyl)phosphanium is sourced from PubChem (CID 6377294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).