[(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium

C14H19NO3P+ — CID 175036276

IUPAC[(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)O/C=C/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18NO3P/c16-19(17)18-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-5,8,11,13H,6-7,9-10,12H2/p+1/b11-8+
InChIKeyHTODIOINERKCMN-DHZHZOJOSA-O
MW280.28 g/mol
LogP3.08
Rot. Bonds5

About [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium

[(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium (PubChem CID 175036276) has the molecular formula C14H19NO3P+ and a molecular weight of 280.28 g/mol. Its IUPAC name is [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium
PubChem CID175036276
Molecular FormulaC14H19NO3P+
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)O/C=C/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18NO3P/c16-19(17)18-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-5,8,11,13H,6-7,9-10,12H2/p+1/b11-8+
InChIKeyHTODIOINERKCMN-DHZHZOJOSA-O
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium (CID 175036276) is [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium is O=[P+](O)O/C=C/C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium?
The InChIKey is HTODIOINERKCMN-DHZHZOJOSA-O. The full InChI is InChI=1S/C14H18NO3P/c16-19(17)18-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-5,8,11,13H,6-7,9-10,12H2/p+1/b11-8+.
What are the key properties of [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium?
[(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium has a molecular weight of 280.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1-benzylpiperidin-4-yl)ethenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 175036276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).