2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine

C26H28N2O — CID 45267782

IUPAC2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C26H28N2O/c1-19-8-12-22(13-9-19)25-16-24(28-29-18-21-6-4-3-5-7-21)17-26(27-25)23-14-10-20(2)11-15-23/h3-15,25-27H,16-18H2,1-2H3
InChIKeySGNFWJYQYSYTBL-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.04
Rot. Bonds5

About 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine

2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine (PubChem CID 45267782) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
PubChem CID45267782
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C26H28N2O/c1-19-8-12-22(13-9-19)25-16-24(28-29-18-21-6-4-3-5-7-21)17-26(27-25)23-14-10-20(2)11-15-23/h3-15,25-27H,16-18H2,1-2H3
InChIKeySGNFWJYQYSYTBL-UHFFFAOYSA-N
XLogP6.04
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 ≤ 56.04
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-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine (CID 45267782) is 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine is Cc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(C)cc3)N2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The InChIKey is SGNFWJYQYSYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-19-8-12-22(13-9-19)25-16-24(28-29-18-21-6-4-3-5-7-21)17-26(27-25)23-14-10-20(2)11-15-23/h3-15,25-27H,16-18H2,1-2H3.
What are the key properties of 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine has a molecular weight of 384.52 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45267782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).