2-(4-Piperonyl-1-piperazinyl)-2,4,6-cycloheptatriene-1-one

HCID 9840227
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1cccccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIKey
PLFMWICPFRBUKU-UHFFFAOYSA-N
Molecular formula
C19H20N2O3
Average molar mass
324.4 g/mol

Names & identifiers

Preferred name
2-(4-Piperonyl-1-piperazinyl)-2,4,6-cycloheptatriene-1-one
IUPAC
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Names & synonyms

SCHEMBL8175092PLFMWICPFRBUKU-UHFFFAOYSA-NL0176162-(4-Piperonyl-1-piperazinyl)-2,4,6-cycloheptatriene-1-one

Database identifiers

PubChem CID
9840227

Properties

Computed structural properties

XLogP
3
Topological polar surface area
42 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

Loading…