1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
Basic information
- CAS
163130-28-7- Standard SMILES
CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1- InChIKey
CXCUNUZXCLEFLK-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304257
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
- IUPAC
- 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one
Names & synonyms
1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine163130-28-7DTXSID60167522RefChem:742451-MDB-4-OBPDTXCID80900131-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butan-1-one1-(1,3-benzodioxol-5-ylmethyl)-4-butyrylpiperazine1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}butan-1-one1-(1,3-Benzodioxol-5-ylmethyl)-4-(1-oxobutyl)piperazineOprea1_523235MLS000680687
Show more names
SCHEMBL8914869CHEMBL1896568HMS2583E18HMS5216D09Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-oxobutyl)-STK327454AKOS003273281NCGC00245662-01
Database identifiers
- CAS
163130-28-7- PubChem CID
- 198798
- DTXSID
DTXSID60167522- ChEMBL
CHEMBL1896568- Nikkaji
- J641.552K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…