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

C26H28N2O3 — CID 45267783

IUPAC2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCOc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(OC)cc3)N2)cc1
InChIInChI=1S/C26H28N2O3/c1-29-23-12-8-20(9-13-23)25-16-22(28-31-18-19-6-4-3-5-7-19)17-26(27-25)21-10-14-24(30-2)15-11-21/h3-15,25-27H,16-18H2,1-2H3
InChIKeyPSECTNAHFWAORJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.44
Rot. Bonds7

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

2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine (PubChem CID 45267783) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine
PubChem CID45267783
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine
SMILESCOc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(OC)cc3)N2)cc1
InChIInChI=1S/C26H28N2O3/c1-29-23-12-8-20(9-13-23)25-16-22(28-31-18-19-6-4-3-5-7-19)17-26(27-25)21-10-14-24(30-2)15-11-21/h3-15,25-27H,16-18H2,1-2H3
InChIKeyPSECTNAHFWAORJ-UHFFFAOYSA-N
XLogP5.44
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine (CID 45267783) is 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine is COc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(OC)cc3)N2)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine?
The InChIKey is PSECTNAHFWAORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-29-23-12-8-20(9-13-23)25-16-22(28-31-18-19-6-4-3-5-7-19)17-26(27-25)21-10-14-24(30-2)15-11-21/h3-15,25-27H,16-18H2,1-2H3.
What are the key properties of 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine?
2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine has a molecular weight of 416.52 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45267783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).