(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C23H24BrN3O — CID 5347884

IUPAC(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1Br
InChIInChI=1S/C23H24BrN3O/c1-28-23-10-9-18(15-22(23)24)16-25-27-13-11-26(12-14-27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10,15-16H,11-14,17H2,1H3/b25-16+
InChIKeySTHGLAONPASUDS-PCLIKHOPSA-N
MW438.37 g/mol
LogP4.76
Rot. Bonds5

About (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 5347884) has the molecular formula C23H24BrN3O and a molecular weight of 438.37 g/mol. Its IUPAC name is (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID5347884
Molecular FormulaC23H24BrN3O
Molecular Weight438.37 g/mol
Exact Mass437.11
IUPAC Name(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1Br
InChIInChI=1S/C23H24BrN3O/c1-28-23-10-9-18(15-22(23)24)16-25-27-13-11-26(12-14-27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10,15-16H,11-14,17H2,1H3/b25-16+
InChIKeySTHGLAONPASUDS-PCLIKHOPSA-N
XLogP4.76
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.76
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

N-[3-(2-methoxyphenyl)-2-propen-1-ylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 6862797
4-Bromo-2-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135519231
4-benzyl-N-(5-bromo-2-methoxybenzylidene)piperazin-1-amine
CID 5342864
(3-Bromo-4-methoxy-benzylidene)-[4-(4-methyl-benzyl)-piperazin-1-yl]-amine
CID 5347832
N'-(4-Methoxy-benzylidene)-N-methyl-N-naphthalen-1-ylmethyl-hydrazine
CID 9579144
4-Benzyl-N-(3-bromo-4-methoxybenzylidene)-1-piperazinamine
CID 9619688
N-[(E)-(2-methoxyphenyl)methylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 5343435
N-(4-Ethoxybenzylidene)-4-(1-naphthylmethyl)-1-piperazinamine
CID 5343478
N-(4-(Benzyloxy)benzylidene)-4-(1-naphthylmethyl)-1-piperazinamine
CID 5343519
N-[(E)-(3-methoxyphenyl)methylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 5347725
4-(naphthalen-1-ylmethyl)-N-[(E)-(4-propoxyphenyl)methylidene]piperazin-1-amine
CID 5347839
N-(2-Ethoxybenzylidene)-4-(1-naphthylmethyl)-1-piperazinamine
CID 6865962

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 5347884) is (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is COc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1Br.
What is the InChIKey of (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is STHGLAONPASUDS-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H24BrN3O/c1-28-23-10-9-18(15-22(23)24)16-25-27-13-11-26(12-14-27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10,15-16H,11-14,17H2,1H3/b25-16+.
What are the key properties of (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 438.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5347884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).