(E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine

C13H16Cl3N3 — CID 43005014

IUPAC(E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine
SMILESC/C(=N\N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H16Cl3N3/c1-9(17-19-7-5-18(2)6-8-19)10-3-4-11(14)13(16)12(10)15/h3-4H,5-8H2,1-2H3/b17-9+
InChIKeyINGATPDRCUHOAJ-RQZCQDPDSA-N
MW320.65 g/mol
LogP3.62
Rot. Bonds2

About (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine

(E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine (PubChem CID 43005014) has the molecular formula C13H16Cl3N3 and a molecular weight of 320.65 g/mol. Its IUPAC name is (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine
PubChem CID43005014
Molecular FormulaC13H16Cl3N3
Molecular Weight320.65 g/mol
Exact Mass319.04
IUPAC Name(E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine
SMILESC/C(=N\N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H16Cl3N3/c1-9(17-19-7-5-18(2)6-8-19)10-3-4-11(14)13(16)12(10)15/h3-4H,5-8H2,1-2H3/b17-9+
InChIKeyINGATPDRCUHOAJ-RQZCQDPDSA-N
XLogP3.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorobenzylidene)-N-(4-methyl-1-piperazinyl)amine
CID 6877275
(E)-1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine;hydrochloride
CID 16239610
(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine;hydrochloride
CID 16241266
(E)-1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 6901428
(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 9707415
1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 899382
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2343708
1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 4982629
N-(2,4-dichlorobenzylidene)-4-methyl-1-piperazinamine
CID 5342561
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride
CID 53347726
1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride
CID 53351014
4-(2-chlorobenzyl)-N-[(1E)-1-(3,4-dichlorophenyl)ethylidene]piperazin-1-amine
CID 9631369

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine?
The IUPAC name of (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine (CID 43005014) is (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine.
What is the SMILES notation for (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine?
The canonical SMILES for (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine is C/C(=N\N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine?
The InChIKey is INGATPDRCUHOAJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H16Cl3N3/c1-9(17-19-7-5-18(2)6-8-19)10-3-4-11(14)13(16)12(10)15/h3-4H,5-8H2,1-2H3/b17-9+.
What are the key properties of (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine?
(E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine has a molecular weight of 320.65 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpiperazin-1-yl)-1-(2,3,4-trichlorophenyl)ethanimine is sourced from PubChem (CID 43005014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).