(2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride

C25H27ClNOP — CID 10410076

IUPAC(2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride
SMILESO=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.[Cl-]
InChIInChI=1S/C25H27NOP.ClH/c27-25(26-19-11-4-12-20-26)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24;/h1-3,5-10,13-18H,4,11-12,19-21H2;1H/q+1;/p-1
InChIKeyUWORXHPNBGSRHR-UHFFFAOYSA-M
MW423.92 g/mol
LogP1.00
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride

(2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride (PubChem CID 10410076) has the molecular formula C25H27ClNOP and a molecular weight of 423.92 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride
PubChem CID10410076
Molecular FormulaC25H27ClNOP
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name(2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride
SMILESO=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.[Cl-]
InChIInChI=1S/C25H27NOP.ClH/c27-25(26-19-11-4-12-20-26)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24;/h1-3,5-10,13-18H,4,11-12,19-21H2;1H/q+1;/p-1
InChIKeyUWORXHPNBGSRHR-UHFFFAOYSA-M
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride (CID 10410076) is (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride is O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.[Cl-].
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride?
The InChIKey is UWORXHPNBGSRHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27NOP.ClH/c27-25(26-19-11-4-12-20-26)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24;/h1-3,5-10,13-18H,4,11-12,19-21H2;1H/q+1;/p-1.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride?
(2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride has a molecular weight of 423.92 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride is sourced from PubChem (CID 10410076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).