N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine

C24H24BrN3 — CID 3122935

IUPACN-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
SMILESBrc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C24H24BrN3/c25-23-13-7-8-20(18-23)19-26-28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2
InChIKeyHYATVAXGRXVDKZ-UHFFFAOYSA-N
MW434.38 g/mol
LogP5.19
Rot. Bonds5

About N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine

N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine (PubChem CID 3122935) has the molecular formula C24H24BrN3 and a molecular weight of 434.38 g/mol. Its IUPAC name is N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine.

Molecular Properties

Compound NameN-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
PubChem CID3122935
Molecular FormulaC24H24BrN3
Molecular Weight434.38 g/mol
Exact Mass433.12
IUPAC NameN-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
SMILESBrc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C24H24BrN3/c25-23-13-7-8-20(18-23)19-26-28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2
InChIKeyHYATVAXGRXVDKZ-UHFFFAOYSA-N
XLogP5.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 55.19
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

3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol
CID 23935322
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine
CID 5342991
(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 5350855
(E)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-bromophenyl)methanimine
CID 6861747
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-5-(diethylamino)phenol
CID 3122939
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
CID 2868303
N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
CID 2446974
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882

Frequently Asked Questions

What is the IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine?
The IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine (CID 3122935) is N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine.
What is the SMILES notation for N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine?
The canonical SMILES for N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine is Brc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine?
The InChIKey is HYATVAXGRXVDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3/c25-23-13-7-8-20(18-23)19-26-28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2.
What are the key properties of N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine?
N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine has a molecular weight of 434.38 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine is sourced from PubChem (CID 3122935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).