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

C13H17Cl2N3 — CID 4982629

IUPAC1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine
SMILESCC(=NN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3/c1-10(11-3-4-12(14)13(15)9-11)16-18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3
InChIKeyRLHJBHICWYJTAM-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.96
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine (PubChem CID 4982629) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine
PubChem CID4982629
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine
SMILESCC(=NN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3/c1-10(11-3-4-12(14)13(15)9-11)16-18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3
InChIKeyRLHJBHICWYJTAM-UHFFFAOYSA-N
XLogP2.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)ethanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine (CID 4982629) is 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine is CC(=NN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
The InChIKey is RLHJBHICWYJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3/c1-10(11-3-4-12(14)13(15)9-11)16-18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine has a molecular weight of 286.21 g/mol, XLogP of 2.96, 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)ethanimine is sourced from PubChem (CID 4982629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).