(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine

C18H18Cl3N3 — CID 5343444

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(CN2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18Cl3N3/c19-16-4-1-14(2-5-16)13-23-7-9-24(10-8-23)22-12-15-3-6-17(20)18(21)11-15/h1-6,11-12H,7-10,13H2/b22-12+
InChIKeyVMQKJLKNLNYERK-WSDLNYQXSA-N
MW382.72 g/mol
LogP4.80
Rot. Bonds4

About (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine (PubChem CID 5343444) has the molecular formula C18H18Cl3N3 and a molecular weight of 382.72 g/mol. Its IUPAC name is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine
PubChem CID5343444
Molecular FormulaC18H18Cl3N3
Molecular Weight382.72 g/mol
Exact Mass381.06
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(CN2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18Cl3N3/c19-16-4-1-14(2-5-16)13-23-7-9-24(10-8-23)22-12-15-3-6-17(20)18(21)11-15/h1-6,11-12H,7-10,13H2/b22-12+
InChIKeyVMQKJLKNLNYERK-WSDLNYQXSA-N
XLogP4.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 54.80
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

(4-Benzyl-piperazin-1-yl)-(4-chloro-benzylidene)-amine
CID 5342900
(4-Benzyl-piperazin-1-yl)-(3-chloro-benzylidene)-amine
CID 5343150
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-propyl)-piperazine
CID 401827
1-(3,4-Dichlorothiobenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CID 10360420
4-(4-Chlorobenzyl)-N-(1-(4-fluorophenyl)ethylidene)-1-piperazinamine
CID 7464662
4-(4-Chlorobenzyl)-N-(2-methylbenzylidene)-1-piperazinamine
CID 5347766
N-(3,4-dichlorobenzylidene)-N-(4-methyl-1-piperazinyl)amine
CID 6877275
N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
N-((1,1'-Biphenyl)-4-ylmethylene)-4-(4-chlorobenzyl)-1-piperazinamine
CID 5347892
1-(3,4-Dichloro-benzyl)-3-phenyl-1,4,5,6-tetrahydro-pyridazine
CID 10710737
(4-Chloro-benzylidene)-(4-(2-chloro-benzyl)-piperazin-1-YL)-amine
CID 5342835

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine (CID 5343444) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine is Clc1ccc(CN2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine?
The InChIKey is VMQKJLKNLNYERK-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H18Cl3N3/c19-16-4-1-14(2-5-16)13-23-7-9-24(10-8-23)22-12-15-3-6-17(20)18(21)11-15/h1-6,11-12H,7-10,13H2/b22-12+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine has a molecular weight of 382.72 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 5343444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).