1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine

C19H21BrClN3O — CID 1125280

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
SMILESCOc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1Br
InChIInChI=1S/C19H21BrClN3O/c1-25-19-7-6-15(12-17(19)20)13-22-24-10-8-23(9-11-24)14-16-4-2-3-5-18(16)21/h2-7,12-13H,8-11,14H2,1H3
InChIKeyOHNGBZZTEFSPSV-UHFFFAOYSA-N
MW422.75 g/mol
LogP4.26
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine

1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 1125280) has the molecular formula C19H21BrClN3O and a molecular weight of 422.75 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
PubChem CID1125280
Molecular FormulaC19H21BrClN3O
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
SMILESCOc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1Br
InChIInChI=1S/C19H21BrClN3O/c1-25-19-7-6-15(12-17(19)20)13-22-24-10-8-23(9-11-24)14-16-4-2-3-5-18(16)21/h2-7,12-13H,8-11,14H2,1H3
InChIKeyOHNGBZZTEFSPSV-UHFFFAOYSA-N
XLogP4.26
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 5405984
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-2-ethoxyphenol
CID 1184891
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
(E)-1-(4-tert-butylphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 5342732
(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902534
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride
CID 53347686
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
(E)-1-(5-bromothiophen-2-yl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 6886569
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine;hydrochloride
CID 2868825
4-bromo-2-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 2141908
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 7387962
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 1110806

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine (CID 1125280) is 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine is COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is OHNGBZZTEFSPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O/c1-25-19-7-6-15(12-17(19)20)13-22-24-10-8-23(9-11-24)14-16-4-2-3-5-18(16)21/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine has a molecular weight of 422.75 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 1125280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).