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

C12H15Cl2N3 — CID 899382

IUPAC1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyKIYSHYZINRZPMH-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.57
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 899382) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID899382
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyKIYSHYZINRZPMH-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 899382) is 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(N=Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is KIYSHYZINRZPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
1-(3,4-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-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 899382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).