Piperazine, 1-methyl-4-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)

HCID 6445890

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Basic information

CAS: 51490-57-4
Standard SMILES: CN1CCN(C(c2ccccc2)c2ccc3c(c2)CCCCC3)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChIKey: PMKUKMJIAZQNEQ-LVEZLNDCSA-N
Molecular formula: C31H38N2O8
Average molar mass: 566.6 g/mol
Monoisotopic mass: 566.26281617

Names & identifiers

Preferred name: Piperazine, 1-methyl-4-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]piperazine

Names & synonyms

51490-57-4Piperazine, 1-methyl-4-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)RefChem:10960341-(alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl)-4-methylpiperazine dimaleate

Database identifiers

CAS: 51490-57-4
PubChem CID: 6445890

Properties

Computed structural properties

Topological polar surface area: 156 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 41
Formal charge: 0
Complexity: 514

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