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

C24H22Cl2N2O — CID 45267034

IUPAC2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine
SMILESClc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C24H22Cl2N2O/c25-20-10-6-18(7-11-20)23-14-22(28-29-16-17-4-2-1-3-5-17)15-24(27-23)19-8-12-21(26)13-9-19/h1-13,23-24,27H,14-16H2
InChIKeyZGQHLDBYJQFBSW-UHFFFAOYSA-N
MW425.36 g/mol
LogP6.73
Rot. Bonds5

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

2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine (PubChem CID 45267034) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine
PubChem CID45267034
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine
SMILESClc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C24H22Cl2N2O/c25-20-10-6-18(7-11-20)23-14-22(28-29-16-17-4-2-1-3-5-17)15-24(27-23)19-8-12-21(26)13-9-19/h1-13,23-24,27H,14-16H2
InChIKeyZGQHLDBYJQFBSW-UHFFFAOYSA-N
XLogP6.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 56.73
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-chlorophenyl)-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine (CID 45267034) is 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine is Clc1ccc(C2CC(=NOCc3ccccc3)CC(c3ccc(Cl)cc3)N2)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine?
The InChIKey is ZGQHLDBYJQFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c25-20-10-6-18(7-11-20)23-14-22(28-29-16-17-4-2-1-3-5-17)15-24(27-23)19-8-12-21(26)13-9-19/h1-13,23-24,27H,14-16H2.
What are the key properties of 2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine?
2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine has a molecular weight of 425.36 g/mol, XLogP of 6.73, 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-chlorophenyl)-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45267034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).