N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine

C25H25BrN2O — CID 11561448

IUPACN-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
SMILESCN1C(c2ccccc2)CC(=NOCc2ccccc2Br)CC1c1ccccc1
InChIInChI=1S/C25H25BrN2O/c1-28-24(19-10-4-2-5-11-19)16-22(17-25(28)20-12-6-3-7-13-20)27-29-18-21-14-8-9-15-23(21)26/h2-15,24-25H,16-18H2,1H3
InChIKeyVJJPTEOVYCOZGG-UHFFFAOYSA-N
MW449.39 g/mol
LogP6.53
Rot. Bonds5

About N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine

N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine (PubChem CID 11561448) has the molecular formula C25H25BrN2O and a molecular weight of 449.39 g/mol. Its IUPAC name is N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
PubChem CID11561448
Molecular FormulaC25H25BrN2O
Molecular Weight449.39 g/mol
Exact Mass448.12
IUPAC NameN-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
SMILESCN1C(c2ccccc2)CC(=NOCc2ccccc2Br)CC1c1ccccc1
InChIInChI=1S/C25H25BrN2O/c1-28-24(19-10-4-2-5-11-19)16-22(17-25(28)20-12-6-3-7-13-20)27-29-18-21-14-8-9-15-23(21)26/h2-15,24-25H,16-18H2,1H3
InChIKeyVJJPTEOVYCOZGG-UHFFFAOYSA-N
XLogP6.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.39
LogP ≤ 56.53
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 N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
The IUPAC name of N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine (CID 11561448) is N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine.
What is the SMILES notation for N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
The canonical SMILES for N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine is CN1C(c2ccccc2)CC(=NOCc2ccccc2Br)CC1c1ccccc1.
What is the InChIKey of N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
The InChIKey is VJJPTEOVYCOZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O/c1-28-24(19-10-4-2-5-11-19)16-22(17-25(28)20-12-6-3-7-13-20)27-29-18-21-14-8-9-15-23(21)26/h2-15,24-25H,16-18H2,1H3.
What are the key properties of N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine has a molecular weight of 449.39 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine is sourced from PubChem (CID 11561448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).