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

C19H23N3S — CID 5343028

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3S/c1-23-19-9-7-17(8-10-19)15-20-22-13-11-21(12-14-22)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+
InChIKeyNRNWHIYQAKZDIM-HMMYKYKNSA-N
MW325.48 g/mol
LogP3.56
Rot. Bonds5

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

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine (PubChem CID 5343028) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine
PubChem CID5343028
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3S/c1-23-19-9-7-17(8-10-19)15-20-22-13-11-21(12-14-22)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+
InChIKeyNRNWHIYQAKZDIM-HMMYKYKNSA-N
XLogP3.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.56
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-Benzylidene-4-(4-methylbenzyl)-1-piperazinamine
CID 5726756
4-benzyl-N-[(E)-phenylmethylidene]-1-piperazinamine
CID 5343041
(4-(2-Chloro-benzyl)-piperazin-1-YL)-(4-methylsulfanyl-benzylidene)-amine
CID 5343124
4-(4-methylbenzyl)-N-[(5-methyl-2-thienyl)methylene]-1-piperazinamine
CID 5347604
2-(4-benzylpiperazin-1-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
CID 6886736
4-(4-Chlorobenzyl)-N-(4-(methylthio)benzylidene)-1-piperazinamine
CID 6894483
N-(4-(Methylthio)benzylidene)-4-phenyl-1-piperazinamine
CID 5727556
1-Benzyl-4-{[4-(methylthio)phenyl]carbonothioyl}piperazine
CID 971920
4-benzyl-N-(4-methylbenzylidene)-1-piperazinamine
CID 5343053
4-(4-methylbenzyl)-N-[(1Z,2E)-2-methyl-3-phenylprop-2-enylidene]piperazin-1-amine
CID 5392053
(4-Benzyl-piperazin-1-yl)-thiophen-2-ylmethylene-amine
CID 6861779
4-(2,4-dimethylbenzyl)-N-[4-(methylthio)benzylidene]-1-piperazinamine
CID 6878593

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine (CID 5343028) is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine is CSc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine?
The InChIKey is NRNWHIYQAKZDIM-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3S/c1-23-19-9-7-17(8-10-19)15-20-22-13-11-21(12-14-22)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine has a molecular weight of 325.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 5343028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).