(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine

C27H30N2O — CID 45269525

IUPAC(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1ccc(C2C/C(=N\OCc3ccccc3)C(C)C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C27H30N2O/c1-19-9-13-23(14-10-19)26-17-25(29-30-18-22-7-5-4-6-8-22)21(3)27(28-26)24-15-11-20(2)12-16-24/h4-16,21,26-28H,17-18H2,1-3H3/b29-25+
InChIKeyDXXNLEIMZJWKNX-XLVZBRSZSA-N
MW398.55 g/mol
LogP6.29
Rot. Bonds5

About (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine

(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine (PubChem CID 45269525) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
PubChem CID45269525
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1ccc(C2C/C(=N\OCc3ccccc3)C(C)C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C27H30N2O/c1-19-9-13-23(14-10-19)26-17-25(29-30-18-22-7-5-4-6-8-22)21(3)27(28-26)24-15-11-20(2)12-16-24/h4-16,21,26-28H,17-18H2,1-3H3/b29-25+
InChIKeyDXXNLEIMZJWKNX-XLVZBRSZSA-N
XLogP6.29
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.29
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 (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine (CID 45269525) is (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine is Cc1ccc(C2C/C(=N\OCc3ccccc3)C(C)C(c3ccc(C)cc3)N2)cc1.
What is the InChIKey of (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
The InChIKey is DXXNLEIMZJWKNX-XLVZBRSZSA-N. The full InChI is InChI=1S/C27H30N2O/c1-19-9-13-23(14-10-19)26-17-25(29-30-18-22-7-5-4-6-8-22)21(3)27(28-26)24-15-11-20(2)12-16-24/h4-16,21,26-28H,17-18H2,1-3H3/b29-25+.
What are the key properties of (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine?
(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine has a molecular weight of 398.55 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45269525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).