4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one

C12H20N2O — CID 57264673

IUPAC4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one
SMILESCC1(C)CCC(=O)C=C1N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-12(2)4-3-10(15)9-11(12)14-7-5-13-6-8-14/h9,13H,3-8H2,1-2H3
InChIKeyPRNKJGXPUDWVMP-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds1

About 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one

4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one (PubChem CID 57264673) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one
PubChem CID57264673
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one
SMILESCC1(C)CCC(=O)C=C1N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-12(2)4-3-10(15)9-11(12)14-7-5-13-6-8-14/h9,13H,3-8H2,1-2H3
InChIKeyPRNKJGXPUDWVMP-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one (CID 57264673) is 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one is CC1(C)CCC(=O)C=C1N1CCNCC1.
What is the InChIKey of 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one?
The InChIKey is PRNKJGXPUDWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)4-3-10(15)9-11(12)14-7-5-13-6-8-14/h9,13H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one?
4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-piperazin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 57264673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).