1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine

C11H18N2 — CID 15665733

IUPAC1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine
SMILESCN1CCN(C2=CC=CCC2)CC1
InChIInChI=1S/C11H18N2/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11/h2-3,5H,4,6-10H2,1H3
InChIKeyMKMONQULOSAGPE-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.47
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine

1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine (PubChem CID 15665733) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine
PubChem CID15665733
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine
SMILESCN1CCN(C2=CC=CCC2)CC1
InChIInChI=1S/C11H18N2/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11/h2-3,5H,4,6-10H2,1H3
InChIKeyMKMONQULOSAGPE-UHFFFAOYSA-N
XLogP1.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 144662385
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethylpiperazine
CID 144662412
1-[5-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine
CID 150227599

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine (CID 15665733) is 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine is CN1CCN(C2=CC=CCC2)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine?
The InChIKey is MKMONQULOSAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11/h2-3,5H,4,6-10H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine?
1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine has a molecular weight of 178.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-methylpiperazine is sourced from PubChem (CID 15665733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).