4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol

C15H24NO5P — CID 166612188

IUPAC4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol
SMILESCCOP(=O)(OCC)c1ccccc1OC1CCNCC1O
InChIInChI=1S/C15H24NO5P/c1-3-19-22(18,20-4-2)15-8-6-5-7-14(15)21-13-9-10-16-11-12(13)17/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3
InChIKeyAAYBUXNIVZGSTG-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.68
Rot. Bonds7

About 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol

4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol (PubChem CID 166612188) has the molecular formula C15H24NO5P and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol.

Molecular Properties

Compound Name4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol
PubChem CID166612188
Molecular FormulaC15H24NO5P
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Name4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol
SMILESCCOP(=O)(OCC)c1ccccc1OC1CCNCC1O
InChIInChI=1S/C15H24NO5P/c1-3-19-22(18,20-4-2)15-8-6-5-7-14(15)21-13-9-10-16-11-12(13)17/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3
InChIKeyAAYBUXNIVZGSTG-UHFFFAOYSA-N
XLogP1.68
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-diethoxyphosphorylphenoxy)piperidin-3-ol?
The IUPAC name of 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol (CID 166612188) is 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol.
What is the SMILES notation for 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol?
The canonical SMILES for 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol is CCOP(=O)(OCC)c1ccccc1OC1CCNCC1O.
What is the InChIKey of 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol?
The InChIKey is AAYBUXNIVZGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO5P/c1-3-19-22(18,20-4-2)15-8-6-5-7-14(15)21-13-9-10-16-11-12(13)17/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol?
4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol has a molecular weight of 329.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diethoxyphosphorylphenoxy)piperidin-3-ol is sourced from PubChem (CID 166612188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).