3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one

C11H18N2O — CID 10888817

IUPAC3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
SMILESCN1CCN(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C11H18N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h9H,2-8H2,1H3
InChIKeyCBSFAYZGIURPOK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.87
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one

3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one (PubChem CID 10888817) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
PubChem CID10888817
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
SMILESCN1CCN(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C11H18N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h9H,2-8H2,1H3
InChIKeyCBSFAYZGIURPOK-UHFFFAOYSA-N
XLogP0.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one 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

5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
3-[4-(3-Oxocyclohex-1-enyl)piperazinyl]cyclohex-2-en-1-one
CID 658450
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one iodide
CID 10958231
3-(Dimethylamino)cyclohex-2-en-1-one
CID 80219
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-one iodide
CID 11045952
3-(Piperidin-1-yl)cyclohex-2-en-1-one
CID 12213488
3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)
CID 648648
3-(4-Methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 11063014
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
CID 3658300
3-(Diethylamino)cyclohex-2-en-1-one
CID 70555528
3-(Dibutylamino)cyclohex-2-en-1-one
CID 71394806
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one (CID 10888817) is 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one is CN1CCN(C2=CC(=O)CCC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
The InChIKey is CBSFAYZGIURPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h9H,2-8H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one has a molecular weight of 194.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 10888817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).