1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

C12H15ClFN3 — CID 2343726

IUPAC1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H15ClFN3/c1-16-5-7-17(8-6-16)15-9-10-11(13)3-2-4-12(10)14/h2-4,9H,5-8H2,1H3
InChIKeyDKIWIZCCXORIJC-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.06
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 2343726) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID2343726
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H15ClFN3/c1-16-5-7-17(8-6-16)15-9-10-11(13)3-2-4-12(10)14/h2-4,9H,5-8H2,1H3
InChIKeyDKIWIZCCXORIJC-UHFFFAOYSA-N
XLogP2.06
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.06
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-(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
4-(2-Chlorobenzyl)-N-(2-fluorobenzylidene)-1-piperazinamine hydrochloride
CID 5342872
N-{4-[(2-Chlorophenyl)methyl]piperazin-1-YL}-1-(4-fluorophenyl)methanimine
CID 869961
N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 11206679
N-[(E)-2-(2-chloro-6-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 134857748
N-[(E)-(4-chlorophenyl)methylidene]-4-methylpiperazin-1-amine
CID 6894058
1-[(1Z)-2-(2-fluorophenyl)-1-azavinyl]-4-[(2-chlorophenyl)methyl]piperazine
CID 680694
1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2343467
1-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2344290
1-[(1E)-2-(2-fluorophenyl)-1-azavinyl]-4-methylpiperazine
CID 6901394
1-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-4-methylpiperazine
CID 6901489

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 2343726) is 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(N=Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is DKIWIZCCXORIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c1-16-5-7-17(8-6-16)15-9-10-11(13)3-2-4-12(10)14/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 255.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 2343726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).