(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine

C18H18Cl3N3 — CID 5343531

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
SMILESClc1ccc(CN2CCN(/N=C/c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl3N3/c19-15-6-4-14(5-7-15)13-23-8-10-24(11-9-23)22-12-16-17(20)2-1-3-18(16)21/h1-7,12H,8-11,13H2/b22-12+
InChIKeySIIMDCXXSIOGSQ-WSDLNYQXSA-N
MW382.72 g/mol
LogP4.80
Rot. Bonds4

About (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine (PubChem CID 5343531) 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-(2,6-dichlorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
PubChem CID5343531
Molecular FormulaC18H18Cl3N3
Molecular Weight382.72 g/mol
Exact Mass381.06
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
SMILESClc1ccc(CN2CCN(/N=C/c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl3N3/c19-15-6-4-14(5-7-15)13-23-8-10-24(11-9-23)22-12-16-17(20)2-1-3-18(16)21/h1-7,12H,8-11,13H2/b22-12+
InChIKeySIIMDCXXSIOGSQ-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

N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
CID 2143721
N-(4-benzylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine
CID 869953
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine;hydrochloride
CID 45046994
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 6878328
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 5410346
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
CID 879215
3-[(Z)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 5402515
1-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]naphthalen-2-ol
CID 135519235
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine
CID 6893886
(E)-1-(2-chloro-6-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine;hydrochloride
CID 45045654
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
CID 6879393
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine (CID 5343531) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine is Clc1ccc(CN2CCN(/N=C/c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine?
The InChIKey is SIIMDCXXSIOGSQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H18Cl3N3/c19-15-6-4-14(5-7-15)13-23-8-10-24(11-9-23)22-12-16-17(20)2-1-3-18(16)21/h1-7,12H,8-11,13H2/b22-12+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-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-(2,6-dichlorophenyl)methanimine is sourced from PubChem (CID 5343531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).