2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine

C13H20N2 — CID 142105661

IUPAC2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
SMILESCC1=CC(N2CCNCC2C)=CCC=C1
InChIInChI=1S/C13H20N2/c1-11-5-3-4-6-13(9-11)15-8-7-14-10-12(15)2/h3,5-6,9,12,14H,4,7-8,10H2,1-2H3
InChIKeyZJUILQAAEMNACA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.07
Rot. Bonds1

About 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine

2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine (PubChem CID 142105661) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
PubChem CID142105661
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
SMILESCC1=CC(N2CCNCC2C)=CCC=C1
InChIInChI=1S/C13H20N2/c1-11-5-3-4-6-13(9-11)15-8-7-14-10-12(15)2/h3,5-6,9,12,14H,4,7-8,10H2,1-2H3
InChIKeyZJUILQAAEMNACA-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)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 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
The IUPAC name of 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine (CID 142105661) is 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine.
What is the SMILES notation for 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
The canonical SMILES for 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine is CC1=CC(N2CCNCC2C)=CCC=C1.
What is the InChIKey of 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
The InChIKey is ZJUILQAAEMNACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-5-3-4-6-13(9-11)15-8-7-14-10-12(15)2/h3,5-6,9,12,14H,4,7-8,10H2,1-2H3.
What are the key properties of 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine?
2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine has a molecular weight of 204.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylcyclohepta-1,4,6-trien-1-yl)piperazine is sourced from PubChem (CID 142105661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).