1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

C12H15Cl2N3 — CID 2343708

IUPAC1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H15Cl2N3/c1-16-5-7-17(8-6-16)15-9-10-3-2-4-11(13)12(10)14/h2-4,9H,5-8H2,1H3
InChIKeyFIELHACJFLHHDG-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 2343708) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID2343708
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H15Cl2N3/c1-16-5-7-17(8-6-16)15-9-10-3-2-4-11(13)12(10)14/h2-4,9H,5-8H2,1H3
InChIKeyFIELHACJFLHHDG-UHFFFAOYSA-N
XLogP2.57
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.57
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
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
1-(2,3-dichlorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 3348065
(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 9058597
(E)-1-(2-chloro-5-nitrophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 170978138
2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 136666054
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
(E)-3-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205447
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 2407574
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
(E)-1-[3-(4-chlorophenoxy)phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 42991028

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 2343708) is 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(N=Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is FIELHACJFLHHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-16-5-7-17(8-6-16)15-9-10-3-2-4-11(13)12(10)14/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 272.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 2343708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).