2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine

C13H22N2 — CID 91310195

IUPAC2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1C=CC(N2CCN(C)CC2C)=CC1
InChIInChI=1S/C13H22N2/c1-11-4-6-13(7-5-11)15-9-8-14(3)10-12(15)2/h4,6-7,11-12H,5,8-10H2,1-3H3
InChIKeyQLTGSFDDQBKLBR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.10
Rot. Bonds1

About 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine

2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 91310195) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID91310195
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1C=CC(N2CCN(C)CC2C)=CC1
InChIInChI=1S/C13H22N2/c1-11-4-6-13(7-5-11)15-9-8-14(3)10-12(15)2/h4,6-7,11-12H,5,8-10H2,1-3H3
InChIKeyQLTGSFDDQBKLBR-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-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 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 91310195) is 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine is CC1C=CC(N2CCN(C)CC2C)=CC1.
What is the InChIKey of 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is QLTGSFDDQBKLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-4-6-13(7-5-11)15-9-8-14(3)10-12(15)2/h4,6-7,11-12H,5,8-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 206.33 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 91310195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).