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

C27H30N2O — CID 16728364

IUPAC1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(C)cc3)N2C)cc1
InChIInChI=1S/C27H30N2O/c1-20-9-13-23(14-10-20)26-17-25(28-30-19-22-7-5-4-6-8-22)18-27(29(26)3)24-15-11-21(2)12-16-24/h4-16,26-27H,17-19H2,1-3H3
InChIKeyNXHDXUURYXNKSR-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.38
Rot. Bonds5

About 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine

1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine (PubChem CID 16728364) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
PubChem CID16728364
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(C)cc3)N2C)cc1
InChIInChI=1S/C27H30N2O/c1-20-9-13-23(14-10-20)26-17-25(28-30-19-22-7-5-4-6-8-22)18-27(29(26)3)24-15-11-21(2)12-16-24/h4-16,26-27H,17-19H2,1-3H3
InChIKeyNXHDXUURYXNKSR-UHFFFAOYSA-N
XLogP6.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.38
H-Bond Donors ≤ 50
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 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine (CID 16728364) is 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine is Cc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(C)cc3)N2C)cc1.
What is the InChIKey of 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The InChIKey is NXHDXUURYXNKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-20-9-13-23(14-10-20)26-17-25(28-30-19-22-7-5-4-6-8-22)18-27(29(26)3)24-15-11-21(2)12-16-24/h4-16,26-27H,17-19H2,1-3H3.
What are the key properties of 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine has a molecular weight of 398.55 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 16728364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).