1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine

C19H22BrN3O — CID 1353948

IUPAC1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
SMILESCOc1ccccc1N1CCN(N=C(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O/c1-15(16-7-9-17(20)10-8-16)21-23-13-11-22(12-14-23)18-5-3-4-6-19(18)24-2/h3-10H,11-14H2,1-2H3
InChIKeyQOVBZDHHFKXFOV-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine

1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine (PubChem CID 1353948) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
PubChem CID1353948
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
SMILESCOc1ccccc1N1CCN(N=C(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O/c1-15(16-7-9-17(20)10-8-16)21-23-13-11-22(12-14-23)18-5-3-4-6-19(18)24-2/h3-10H,11-14H2,1-2H3
InChIKeyQOVBZDHHFKXFOV-UHFFFAOYSA-N
XLogP4.00
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 761172
4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135877641
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 59020784
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine
CID 115620485
1-[2-(4-bromophenoxy)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 15945593
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine (CID 1353948) is 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine is COc1ccccc1N1CCN(N=C(C)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The InChIKey is QOVBZDHHFKXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-15(16-7-9-17(20)10-8-16)21-23-13-11-22(12-14-23)18-5-3-4-6-19(18)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine has a molecular weight of 388.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine is sourced from PubChem (CID 1353948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).