2-diphenylphosphoryl-1-piperidin-1-ylethanone

C19H22NO2P — CID 611958

IUPAC2-diphenylphosphoryl-1-piperidin-1-ylethanone
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H22NO2P/c21-19(20-14-8-3-9-15-20)16-23(22,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyYTAYSTNAUYJKDJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.01
Rot. Bonds4

About 2-diphenylphosphoryl-1-piperidin-1-ylethanone

2-diphenylphosphoryl-1-piperidin-1-ylethanone (PubChem CID 611958) has the molecular formula C19H22NO2P and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-piperidin-1-ylethanone
PubChem CID611958
Molecular FormulaC19H22NO2P
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-diphenylphosphoryl-1-piperidin-1-ylethanone
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H22NO2P/c21-19(20-14-8-3-9-15-20)16-23(22,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyYTAYSTNAUYJKDJ-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diphenylphosphoryl-1-piperidin-1-ylethanone?
The IUPAC name of 2-diphenylphosphoryl-1-piperidin-1-ylethanone (CID 611958) is 2-diphenylphosphoryl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-diphenylphosphoryl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-diphenylphosphoryl-1-piperidin-1-ylethanone is O=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-diphenylphosphoryl-1-piperidin-1-ylethanone?
The InChIKey is YTAYSTNAUYJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO2P/c21-19(20-14-8-3-9-15-20)16-23(22,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2.
What are the key properties of 2-diphenylphosphoryl-1-piperidin-1-ylethanone?
2-diphenylphosphoryl-1-piperidin-1-ylethanone has a molecular weight of 327.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-piperidin-1-ylethanone is sourced from PubChem (CID 611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).