1-(4,5-dimethoxy-2-methylphenyl)piperazine

C13H20N2O2 — CID 82476463

IUPAC1-(4,5-dimethoxy-2-methylphenyl)piperazine
SMILESCOc1cc(C)c(N2CCNCC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-10-8-12(16-2)13(17-3)9-11(10)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyFZLHLFUZRGCGRV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds3

About 1-(4,5-dimethoxy-2-methylphenyl)piperazine

1-(4,5-dimethoxy-2-methylphenyl)piperazine (PubChem CID 82476463) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)piperazine
PubChem CID82476463
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)piperazine
SMILESCOc1cc(C)c(N2CCNCC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-10-8-12(16-2)13(17-3)9-11(10)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyFZLHLFUZRGCGRV-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4,5-dimethoxy-2-methylphenyl)piperazine 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-(4,5-dimethoxy-2-methylphenyl)piperazine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)piperazine (CID 82476463) is 1-(4,5-dimethoxy-2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)piperazine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)piperazine is COc1cc(C)c(N2CCNCC2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)piperazine?
The InChIKey is FZLHLFUZRGCGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-12(16-2)13(17-3)9-11(10)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)piperazine?
1-(4,5-dimethoxy-2-methylphenyl)piperazine has a molecular weight of 236.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)piperazine is sourced from PubChem (CID 82476463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).