N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine

C26H27BrN2O — CID 73036509

IUPACN-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2Br)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C26H27BrN2O/c1-19-24(28-30-18-22-15-9-10-16-23(22)27)17-25(20-11-5-3-6-12-20)29(2)26(19)21-13-7-4-8-14-21/h3-16,19,25-26H,17-18H2,1-2H3
InChIKeyKMFVBXILXCFEEJ-UHFFFAOYSA-N
MW463.42 g/mol
LogP6.78
Rot. Bonds5

About N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine

N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine (PubChem CID 73036509) has the molecular formula C26H27BrN2O and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
PubChem CID73036509
Molecular FormulaC26H27BrN2O
Molecular Weight463.42 g/mol
Exact Mass462.13
IUPAC NameN-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2Br)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C26H27BrN2O/c1-19-24(28-30-18-22-15-9-10-16-23(22)27)17-25(20-11-5-3-6-12-20)29(2)26(19)21-13-7-4-8-14-21/h3-16,19,25-26H,17-18H2,1-2H3
InChIKeyKMFVBXILXCFEEJ-UHFFFAOYSA-N
XLogP6.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 56.78
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]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
The IUPAC name of N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine (CID 73036509) is N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine.
What is the SMILES notation for N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
The canonical SMILES for N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine is CC1C(=NOCc2ccccc2Br)CC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
The InChIKey is KMFVBXILXCFEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O/c1-19-24(28-30-18-22-15-9-10-16-23(22)27)17-25(20-11-5-3-6-12-20)29(2)26(19)21-13-7-4-8-14-21/h3-16,19,25-26H,17-18H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine has a molecular weight of 463.42 g/mol, XLogP of 6.78, 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]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine is sourced from PubChem (CID 73036509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).