4-(2-diethoxyphosphorylphenyl)piperidine

C15H24NO3P — CID 23018720

IUPAC4-(2-diethoxyphosphorylphenyl)piperidine
SMILESCCOP(=O)(OCC)c1ccccc1C1CCNCC1
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-8-6-5-7-14(15)13-9-11-16-12-10-13/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyISYFUTVJPLZEKX-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.05
Rot. Bonds6

About 4-(2-diethoxyphosphorylphenyl)piperidine

4-(2-diethoxyphosphorylphenyl)piperidine (PubChem CID 23018720) has the molecular formula C15H24NO3P and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(2-diethoxyphosphorylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-diethoxyphosphorylphenyl)piperidine
PubChem CID23018720
Molecular FormulaC15H24NO3P
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name4-(2-diethoxyphosphorylphenyl)piperidine
SMILESCCOP(=O)(OCC)c1ccccc1C1CCNCC1
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-8-6-5-7-14(15)13-9-11-16-12-10-13/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyISYFUTVJPLZEKX-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
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 4-(2-diethoxyphosphorylphenyl)piperidine?
The IUPAC name of 4-(2-diethoxyphosphorylphenyl)piperidine (CID 23018720) is 4-(2-diethoxyphosphorylphenyl)piperidine.
What is the SMILES notation for 4-(2-diethoxyphosphorylphenyl)piperidine?
The canonical SMILES for 4-(2-diethoxyphosphorylphenyl)piperidine is CCOP(=O)(OCC)c1ccccc1C1CCNCC1.
What is the InChIKey of 4-(2-diethoxyphosphorylphenyl)piperidine?
The InChIKey is ISYFUTVJPLZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-8-6-5-7-14(15)13-9-11-16-12-10-13/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(2-diethoxyphosphorylphenyl)piperidine?
4-(2-diethoxyphosphorylphenyl)piperidine has a molecular weight of 297.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diethoxyphosphorylphenyl)piperidine is sourced from PubChem (CID 23018720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).