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

C25H24Cl2N2O — CID 45266939

IUPAC(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine
SMILESCC1/C(=N/OCc2ccccc2)CC(c2ccc(Cl)cc2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C25H24Cl2N2O/c1-17-23(29-30-16-18-5-3-2-4-6-18)15-24(19-7-11-21(26)12-8-19)28-25(17)20-9-13-22(27)14-10-20/h2-14,17,24-25,28H,15-16H2,1H3/b29-23+
InChIKeySKMMAHRIKRAUSX-BYNJWEBRSA-N
MW439.39 g/mol
LogP6.98
Rot. Bonds5

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

(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine (PubChem CID 45266939) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine
PubChem CID45266939
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC Name(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine
SMILESCC1/C(=N/OCc2ccccc2)CC(c2ccc(Cl)cc2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C25H24Cl2N2O/c1-17-23(29-30-16-18-5-3-2-4-6-18)15-24(19-7-11-21(26)12-8-19)28-25(17)20-9-13-22(27)14-10-20/h2-14,17,24-25,28H,15-16H2,1H3/b29-23+
InChIKeySKMMAHRIKRAUSX-BYNJWEBRSA-N
XLogP6.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 56.98
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)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine (CID 45266939) is (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine is CC1/C(=N/OCc2ccccc2)CC(c2ccc(Cl)cc2)NC1c1ccc(Cl)cc1.
What is the InChIKey of (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine?
The InChIKey is SKMMAHRIKRAUSX-BYNJWEBRSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-17-23(29-30-16-18-5-3-2-4-6-18)15-24(19-7-11-21(26)12-8-19)28-25(17)20-9-13-22(27)14-10-20/h2-14,17,24-25,28H,15-16H2,1H3/b29-23+.
What are the key properties of (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine?
(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine has a molecular weight of 439.39 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45266939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).