diethoxy(oxo)phosphanium;1-methylpiperidine

C10H23NO3P+ — CID 159752733

IUPACdiethoxy(oxo)phosphanium;1-methylpiperidine
SMILESCCO[P+](=O)OCC.CN1CCCCC1
InChIInChI=1S/C6H13N.C4H10O3P/c1-7-5-3-2-4-6-7;1-3-6-8(5)7-4-2/h2-6H2,1H3;3-4H2,1-2H3/q;+1
InChIKeyLROQSPUCLKPMOB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.82
Rot. Bonds4

About diethoxy(oxo)phosphanium;1-methylpiperidine

diethoxy(oxo)phosphanium;1-methylpiperidine (PubChem CID 159752733) has the molecular formula C10H23NO3P+ and a molecular weight of 236.27 g/mol. Its IUPAC name is diethoxy(oxo)phosphanium;1-methylpiperidine.

Molecular Properties

Compound Namediethoxy(oxo)phosphanium;1-methylpiperidine
PubChem CID159752733
Molecular FormulaC10H23NO3P+
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Namediethoxy(oxo)phosphanium;1-methylpiperidine
SMILESCCO[P+](=O)OCC.CN1CCCCC1
InChIInChI=1S/C6H13N.C4H10O3P/c1-7-5-3-2-4-6-7;1-3-6-8(5)7-4-2/h2-6H2,1H3;3-4H2,1-2H3/q;+1
InChIKeyLROQSPUCLKPMOB-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy(oxo)phosphanium;1-methylpiperidine?
The IUPAC name of diethoxy(oxo)phosphanium;1-methylpiperidine (CID 159752733) is diethoxy(oxo)phosphanium;1-methylpiperidine.
What is the SMILES notation for diethoxy(oxo)phosphanium;1-methylpiperidine?
The canonical SMILES for diethoxy(oxo)phosphanium;1-methylpiperidine is CCO[P+](=O)OCC.CN1CCCCC1.
What is the InChIKey of diethoxy(oxo)phosphanium;1-methylpiperidine?
The InChIKey is LROQSPUCLKPMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H10O3P/c1-7-5-3-2-4-6-7;1-3-6-8(5)7-4-2/h2-6H2,1H3;3-4H2,1-2H3/q;+1.
What are the key properties of diethoxy(oxo)phosphanium;1-methylpiperidine?
diethoxy(oxo)phosphanium;1-methylpiperidine has a molecular weight of 236.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)phosphanium;1-methylpiperidine is sourced from PubChem (CID 159752733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).