1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine

C19H22BrN3 — CID 1243236

IUPAC1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCc1ccc(CN2CCN(N=Cc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C19H22BrN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyIIEOAQAMKHLNTE-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine

1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 1243236) has the molecular formula C19H22BrN3 and a molecular weight of 372.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
PubChem CID1243236
Molecular FormulaC19H22BrN3
Molecular Weight372.31 g/mol
Exact Mass371.10
IUPAC Name1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCc1ccc(CN2CCN(N=Cc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C19H22BrN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyIIEOAQAMKHLNTE-UHFFFAOYSA-N
XLogP3.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.91
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-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
CID 879215
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
CID 5060114
2-methoxy-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135635783
N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
CID 2794234
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 5410346
3-[(Z)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 5402515
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 6878328
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (CID 1243236) is 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is Cc1ccc(CN2CCN(N=Cc3cccc(Br)c3)CC2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is IIEOAQAMKHLNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine has a molecular weight of 372.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 1243236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).