N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine

C18H18Cl3N3 — CID 2143721

IUPACN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
SMILESClc1ccc(CN2CCN(N=Cc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl3N3/c19-16-6-4-14(5-7-16)13-23-8-10-24(11-9-23)22-12-15-2-1-3-17(20)18(15)21/h1-7,12H,8-11,13H2
InChIKeyTZQYXRDSXGSWRV-UHFFFAOYSA-N
MW382.72 g/mol
LogP4.80
Rot. Bonds4

About N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine

N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine (PubChem CID 2143721) has the molecular formula C18H18Cl3N3 and a molecular weight of 382.72 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
PubChem CID2143721
Molecular FormulaC18H18Cl3N3
Molecular Weight382.72 g/mol
Exact Mass381.06
IUPAC NameN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
SMILESClc1ccc(CN2CCN(N=Cc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl3N3/c19-16-6-4-14(5-7-16)13-23-8-10-24(11-9-23)22-12-15-2-1-3-17(20)18(15)21/h1-7,12H,8-11,13H2
InChIKeyTZQYXRDSXGSWRV-UHFFFAOYSA-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

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
CID 5343531
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
(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
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 6878328
3-[(Z)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 5402515
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine
CID 6893886
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
CID 6879393
N-(4-benzylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine
CID 869953

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine?
The IUPAC name of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine (CID 2143721) is N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine?
The canonical SMILES for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine is Clc1ccc(CN2CCN(N=Cc3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine?
The InChIKey is TZQYXRDSXGSWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3/c19-16-6-4-14(5-7-16)13-23-8-10-24(11-9-23)22-12-15-2-1-3-17(20)18(15)21/h1-7,12H,8-11,13H2.
What are the key properties of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine?
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-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 N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine is sourced from PubChem (CID 2143721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).