1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine

C15H21BrN2O — CID 23854347

IUPAC1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
SMILESCOc1ccc(Br)cc1C=NN1C(C)CCCC1C
InChIInChI=1S/C15H21BrN2O/c1-11-5-4-6-12(2)18(11)17-10-13-9-14(16)7-8-15(13)19-3/h7-12H,4-6H2,1-3H3
InChIKeyVJNTYIAYFXLKCA-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.05
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine

1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine (PubChem CID 23854347) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
PubChem CID23854347
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
SMILESCOc1ccc(Br)cc1C=NN1C(C)CCCC1C
InChIInChI=1S/C15H21BrN2O/c1-11-5-4-6-12(2)18(11)17-10-13-9-14(16)7-8-15(13)19-3/h7-12H,4-6H2,1-3H3
InChIKeyVJNTYIAYFXLKCA-UHFFFAOYSA-N
XLogP4.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(E)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]phenol
CID 135692380
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012469
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
4-[(5-bromo-2-methoxyphenyl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione
CID 1391287
(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6598140
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111
(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 94841881
4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene
CID 156741287
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7485953
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine (CID 23854347) is 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine is COc1ccc(Br)cc1C=NN1C(C)CCCC1C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine?
The InChIKey is VJNTYIAYFXLKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-4-6-12(2)18(11)17-10-13-9-14(16)7-8-15(13)19-3/h7-12H,4-6H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine?
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine has a molecular weight of 325.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine is sourced from PubChem (CID 23854347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).