Piperazine, 1-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butendioate (1:1)
Basic information
- CAS
37652-58-7- Standard SMILES
O=C(O)/C=C/C(=O)O.c1ccc(Cc2ccccc2CN2CCNCC2)cc1- InChIKey
KPBZQDMJKUTFEP-WLHGVMLRSA-N- Molecular formula
- C22H26N2O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.18925731
Names & identifiers
- Preferred name
- Piperazine, 1-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butendioate (1:1)
- IUPAC
- 1-[(2-benzylphenyl)methyl]piperazine;(E)-but-2-enedioic acid
Names & synonyms
Piperazine, 1-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butendioate (1:1)37652-58-7RefChem:10956571-(2-Benzylbenzyl)piperazine maleate1-((2-(Phenylmethyl)phenyl)methyl)piperazine maleate
Database identifiers
- CAS
37652-58-7- PubChem CID
- 6445593
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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