1-(2,3-dichlorophenyl)-3-methylpiperazine

C11H14Cl2N2 — CID 62670055

IUPAC1-(2,3-dichlorophenyl)-3-methylpiperazine
SMILESCC1CN(c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2/c1-8-7-15(6-5-14-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3
InChIKeyDILVFVYWWVIFBI-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.79
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-3-methylpiperazine

1-(2,3-dichlorophenyl)-3-methylpiperazine (PubChem CID 62670055) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methylpiperazine
PubChem CID62670055
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-(2,3-dichlorophenyl)-3-methylpiperazine
SMILESCC1CN(c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2/c1-8-7-15(6-5-14-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3
InChIKeyDILVFVYWWVIFBI-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-3-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methylpiperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methylpiperazine (CID 62670055) is 1-(2,3-dichlorophenyl)-3-methylpiperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methylpiperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methylpiperazine is CC1CN(c2cccc(Cl)c2Cl)CCN1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methylpiperazine?
The InChIKey is DILVFVYWWVIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-8-7-15(6-5-14-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-methylpiperazine?
1-(2,3-dichlorophenyl)-3-methylpiperazine has a molecular weight of 245.15 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-methylpiperazine is sourced from PubChem (CID 62670055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).