(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine

C18H20BrN3 — CID 5343052

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20BrN3/c19-18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b20-14+
InChIKeyRXTBFFWCGVIGEM-XSFVSMFZSA-N
MW358.28 g/mol
LogP3.60
Rot. Bonds4

About (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine (PubChem CID 5343052) has the molecular formula C18H20BrN3 and a molecular weight of 358.28 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
PubChem CID5343052
Molecular FormulaC18H20BrN3
Molecular Weight358.28 g/mol
Exact Mass357.08
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20BrN3/c19-18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b20-14+
InChIKeyRXTBFFWCGVIGEM-XSFVSMFZSA-N
XLogP3.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
CID 2868959
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
CID 1110798
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
2-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-4-bromophenol
CID 135936131
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
CID 6879393
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine (CID 5343052) is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine is Brc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine?
The InChIKey is RXTBFFWCGVIGEM-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H20BrN3/c19-18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b20-14+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine has a molecular weight of 358.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine is sourced from PubChem (CID 5343052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).