N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine
Basic information
- CAS
85982-75-8- Standard SMILES
C[C@@H]1CN(C(=O)/C=C/c2ccccc2)[C@@H](C)CN1C- InChIKey
MIGGJPIAMPJCES-HOQBHHMFSA-N- Molecular formula
- C16H22N2O
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.17321333
Overview
N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine has been reported in Aspergillus niger with data available.
Names & identifiers
- Preferred name
- N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine
- IUPAC
- (E)-3-phenyl-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
Names & synonyms
N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazineRefChem:1091940(E)-3-phenyl-1-((2S,5R)-2,4,5-trimethylpiperazin-1-yl)prop-2-en-1-oneNigerazine BBRN 4808792Piperazine, 4-(1-oxo-3-phenyl-2-propenyl)-1,2,5-trimethyl-, (2-alpha,4(E),5-beta)-85982-75-8
Database identifiers
- CAS
85982-75-8- PubChem CID
- 6441979
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…