5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one

C13H22N2O — CID 3658300

IUPAC5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
SMILESCN1CCN(C2=CC(=O)CC(C)(C)C2)CC1
InChIInChI=1S/C13H22N2O/c1-13(2)9-11(8-12(16)10-13)15-6-4-14(3)5-7-15/h8H,4-7,9-10H2,1-3H3
InChIKeyOUUOHGYXUMMUBZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.51
Rot. Bonds1

About 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one

5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one (PubChem CID 3658300) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
PubChem CID3658300
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
SMILESCN1CCN(C2=CC(=O)CC(C)(C)C2)CC1
InChIInChI=1S/C13H22N2O/c1-13(2)9-11(8-12(16)10-13)15-6-4-14(3)5-7-15/h8H,4-7,9-10H2,1-3H3
InChIKeyOUUOHGYXUMMUBZ-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one (CID 3658300) is 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one is CN1CCN(C2=CC(=O)CC(C)(C)C2)CC1.
What is the InChIKey of 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
The InChIKey is OUUOHGYXUMMUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)9-11(8-12(16)10-13)15-6-4-14(3)5-7-15/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one?
5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 3658300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).