2,6-diphenyl-N-phenylmethoxypiperidin-4-imine

C24H24N2O — CID 45272107

IUPAC2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
SMILESc1ccc(CON=C2CC(c3ccccc3)NC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H24N2O/c1-4-10-19(11-5-1)18-27-26-22-16-23(20-12-6-2-7-13-20)25-24(17-22)21-14-8-3-9-15-21/h1-15,23-25H,16-18H2
InChIKeyQKSDKDVJNVRIHB-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.43
Rot. Bonds5

About 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine

2,6-diphenyl-N-phenylmethoxypiperidin-4-imine (PubChem CID 45272107) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
PubChem CID45272107
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
SMILESc1ccc(CON=C2CC(c3ccccc3)NC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H24N2O/c1-4-10-19(11-5-1)18-27-26-22-16-23(20-12-6-2-7-13-20)25-24(17-22)21-14-8-3-9-15-21/h1-15,23-25H,16-18H2
InChIKeyQKSDKDVJNVRIHB-UHFFFAOYSA-N
XLogP5.43
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine (CID 45272107) is 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine is c1ccc(CON=C2CC(c3ccccc3)NC(c3ccccc3)C2)cc1.
What is the InChIKey of 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The InChIKey is QKSDKDVJNVRIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-4-10-19(11-5-1)18-27-26-22-16-23(20-12-6-2-7-13-20)25-24(17-22)21-14-8-3-9-15-21/h1-15,23-25H,16-18H2.
What are the key properties of 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
2,6-diphenyl-N-phenylmethoxypiperidin-4-imine has a molecular weight of 356.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45272107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).