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

C20H24BrN3 — CID 5060114

IUPAC1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
SMILESCC(=NN1CCN(Cc2ccc(C)cc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C20H24BrN3/c1-16-6-8-18(9-7-16)15-23-10-12-24(13-11-23)22-17(2)19-4-3-5-20(21)14-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeySTTPHRAAXPBHOX-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.30
Rot. Bonds4

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

1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine (PubChem CID 5060114) has the molecular formula C20H24BrN3 and a molecular weight of 386.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
PubChem CID5060114
Molecular FormulaC20H24BrN3
Molecular Weight386.34 g/mol
Exact Mass385.12
IUPAC Name1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
SMILESCC(=NN1CCN(Cc2ccc(C)cc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C20H24BrN3/c1-16-6-8-18(9-7-16)15-23-10-12-24(13-11-23)22-17(2)19-4-3-5-20(21)14-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeySTTPHRAAXPBHOX-UHFFFAOYSA-N
XLogP4.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
CID 6082743
(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
CID 71259441
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
(4-benzyl-1,4-diazepan-1-yl)-(3-bromophenyl)methanone
CID 23765712
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
The IUPAC name of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine (CID 5060114) is 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine is CC(=NN1CCN(Cc2ccc(C)cc2)CC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
The InChIKey is STTPHRAAXPBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3/c1-16-6-8-18(9-7-16)15-23-10-12-24(13-11-23)22-17(2)19-4-3-5-20(21)14-19/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine has a molecular weight of 386.34 g/mol, XLogP of 4.30, 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]ethanimine is sourced from PubChem (CID 5060114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).