3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine

C26H28N2O — CID 45270375

IUPAC3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2)C(C)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C26H28N2O/c1-19-24(28-29-18-21-12-6-3-7-13-21)20(2)26(23-16-10-5-11-17-23)27-25(19)22-14-8-4-9-15-22/h3-17,19-20,25-27H,18H2,1-2H3
InChIKeyBGAQWBJJHICOJW-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.92
Rot. Bonds5

About 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine

3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine (PubChem CID 45270375) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
PubChem CID45270375
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2)C(C)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C26H28N2O/c1-19-24(28-29-18-21-12-6-3-7-13-21)20(2)26(23-16-10-5-11-17-23)27-25(19)22-14-8-4-9-15-22/h3-17,19-20,25-27H,18H2,1-2H3
InChIKeyBGAQWBJJHICOJW-UHFFFAOYSA-N
XLogP5.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.92
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 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine (CID 45270375) is 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine is CC1C(=NOCc2ccccc2)C(C)C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The InChIKey is BGAQWBJJHICOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-19-24(28-29-18-21-12-6-3-7-13-21)20(2)26(23-16-10-5-11-17-23)27-25(19)22-14-8-4-9-15-22/h3-17,19-20,25-27H,18H2,1-2H3.
What are the key properties of 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine has a molecular weight of 384.52 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45270375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).