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

C13H17Cl3N3- — CID 53351014

IUPAC1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride
SMILESCC(=NN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1.[Cl-]
InChIInChI=1S/C13H17Cl2N3.ClH/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;1H/p-1
InChIKeyRWHWMBNBSJQPRN-UHFFFAOYSA-M
MW321.66 g/mol
LogP-0.03
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride (PubChem CID 53351014) has the molecular formula C13H17Cl3N3- and a molecular weight of 321.66 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride
PubChem CID53351014
Molecular FormulaC13H17Cl3N3-
Molecular Weight321.66 g/mol
Exact Mass320.05
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride
SMILESCC(=NN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1.[Cl-]
InChIInChI=1S/C13H17Cl2N3.ClH/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;1H/p-1
InChIKeyRWHWMBNBSJQPRN-UHFFFAOYSA-M
XLogP-0.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.66
LogP ≤ 5-0.03
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 chloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride (CID 53351014) is 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride is CC(=NN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1.[Cl-].
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride?
The InChIKey is RWHWMBNBSJQPRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17Cl2N3.ClH/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;1H/p-1.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride?
1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine chloride has a molecular weight of 321.66 g/mol, XLogP of -0.03, 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 chloride is sourced from PubChem (CID 53351014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).