2-diphenylphosphorylpiperidine

C17H20NOP — CID 11781097

IUPAC2-diphenylphosphorylpiperidine
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCCN1
InChIInChI=1S/C17H20NOP/c19-20(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyPBRJVODHBXHVTK-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.10
Rot. Bonds3

About 2-diphenylphosphorylpiperidine

2-diphenylphosphorylpiperidine (PubChem CID 11781097) has the molecular formula C17H20NOP and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-diphenylphosphorylpiperidine.

Molecular Properties

Compound Name2-diphenylphosphorylpiperidine
PubChem CID11781097
Molecular FormulaC17H20NOP
Molecular Weight285.33 g/mol
Exact Mass285.13
IUPAC Name2-diphenylphosphorylpiperidine
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCCN1
InChIInChI=1S/C17H20NOP/c19-20(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyPBRJVODHBXHVTK-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-diphenylphosphorylpiperidine?
The IUPAC name of 2-diphenylphosphorylpiperidine (CID 11781097) is 2-diphenylphosphorylpiperidine.
What is the SMILES notation for 2-diphenylphosphorylpiperidine?
The canonical SMILES for 2-diphenylphosphorylpiperidine is O=P(c1ccccc1)(c1ccccc1)C1CCCCN1.
What is the InChIKey of 2-diphenylphosphorylpiperidine?
The InChIKey is PBRJVODHBXHVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NOP/c19-20(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-6,9-12,17-18H,7-8,13-14H2.
What are the key properties of 2-diphenylphosphorylpiperidine?
2-diphenylphosphorylpiperidine has a molecular weight of 285.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylpiperidine is sourced from PubChem (CID 11781097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).