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

C12H15Cl3N3- — CID 53347726

IUPAC1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride
SMILESCN1CCN(N=Cc2cccc(Cl)c2Cl)CC1.[Cl-]
InChIInChI=1S/C12H15Cl2N3.ClH/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;1H/p-1
InChIKeyFLXCEPBYXLZQHT-UHFFFAOYSA-M
MW307.63 g/mol
LogP-0.42
Rot. Bonds2

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

1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride (PubChem CID 53347726) has the molecular formula C12H15Cl3N3- and a molecular weight of 307.63 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride
PubChem CID53347726
Molecular FormulaC12H15Cl3N3-
Molecular Weight307.63 g/mol
Exact Mass306.03
IUPAC Name1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride
SMILESCN1CCN(N=Cc2cccc(Cl)c2Cl)CC1.[Cl-]
InChIInChI=1S/C12H15Cl2N3.ClH/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;1H/p-1
InChIKeyFLXCEPBYXLZQHT-UHFFFAOYSA-M
XLogP-0.42
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 5-0.42
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-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride (CID 53347726) is 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride is CN1CCN(N=Cc2cccc(Cl)c2Cl)CC1.[Cl-].
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride?
The InChIKey is FLXCEPBYXLZQHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15Cl2N3.ClH/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;1H/p-1.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride?
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine chloride has a molecular weight of 307.63 g/mol, XLogP of -0.42, 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 chloride is sourced from PubChem (CID 53347726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).