4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one

C13H20N2O — CID 57076568

IUPAC4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C(N2CCNCC2)=CC1=O
InChIInChI=1S/C13H20N2O/c1-10-9-13(2,3)12(8-11(10)16)15-6-4-14-5-7-15/h8,14H,1,4-7,9H2,2-3H3
InChIKeyWTSBFPLDBRXKJA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds1

About 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one

4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one (PubChem CID 57076568) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one
PubChem CID57076568
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C(N2CCNCC2)=CC1=O
InChIInChI=1S/C13H20N2O/c1-10-9-13(2,3)12(8-11(10)16)15-6-4-14-5-7-15/h8,14H,1,4-7,9H2,2-3H3
InChIKeyWTSBFPLDBRXKJA-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one (CID 57076568) is 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one is C=C1CC(C)(C)C(N2CCNCC2)=CC1=O.
What is the InChIKey of 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one?
The InChIKey is WTSBFPLDBRXKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-9-13(2,3)12(8-11(10)16)15-6-4-14-5-7-15/h8,14H,1,4-7,9H2,2-3H3.
What are the key properties of 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one?
4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one has a molecular weight of 220.32 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-methylidene-3-piperazin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 57076568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).