1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine

C18H20BrN3O — CID 1185111

IUPAC1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCOc1ccc(Br)cc1C=NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20BrN3O/c1-23-18-8-7-16(19)13-15(18)14-20-22-11-9-21(10-12-22)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyJZTOUHZXNILKLB-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.61
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine

1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 1185111) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
PubChem CID1185111
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCOc1ccc(Br)cc1C=NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20BrN3O/c1-23-18-8-7-16(19)13-15(18)14-20-22-11-9-21(10-12-22)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyJZTOUHZXNILKLB-UHFFFAOYSA-N
XLogP3.61
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.61
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-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 23940384
(E)-1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6899953
(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 94841881
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
CID 869954
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 6899320

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine (CID 1185111) is 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is COc1ccc(Br)cc1C=NN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is JZTOUHZXNILKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-23-18-8-7-16(19)13-15(18)14-20-22-11-9-21(10-12-22)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 374.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 1185111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).