1-Piperazineethanol, 4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
61014-79-7- Standard SMILES
Cc1cc(C)c(CN2CCN(CCO)CC2)c(C)c1.O=C(O)/C=C/C(=O)O- InChIKey
QYEWFMJNXXQFGM-WLHGVMLRSA-N- Molecular formula
- C20H30N2O5
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.21547206
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanol
Names & synonyms
61014-79-71-Piperazineethanol, 4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1)RefChem:10565294-((2,4,6-Trimethylphenyl)methyl)-1-piperazineethanol (Z)-2-butenedioate
Database identifiers
- CAS
61014-79-7- PubChem CID
- 6446478
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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