4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one

C12H20N2O — CID 18320082

IUPAC4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one
SMILESCC1(C)C=C(C2CNCCN2)C(=O)CC1
InChIInChI=1S/C12H20N2O/c1-12(2)4-3-11(15)9(7-12)10-8-13-5-6-14-10/h7,10,13-14H,3-6,8H2,1-2H3
InChIKeyVKAUEBPOHXBUJW-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.86
Rot. Bonds1

About 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one

4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one (PubChem CID 18320082) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one
PubChem CID18320082
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one
SMILESCC1(C)C=C(C2CNCCN2)C(=O)CC1
InChIInChI=1S/C12H20N2O/c1-12(2)4-3-11(15)9(7-12)10-8-13-5-6-14-10/h7,10,13-14H,3-6,8H2,1-2H3
InChIKeyVKAUEBPOHXBUJW-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one (CID 18320082) is 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one is CC1(C)C=C(C2CNCCN2)C(=O)CC1.
What is the InChIKey of 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one?
The InChIKey is VKAUEBPOHXBUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)4-3-11(15)9(7-12)10-8-13-5-6-14-10/h7,10,13-14H,3-6,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one?
4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-piperazin-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 18320082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).