Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-(o-tolyl)-, oxalate

HCID 91013

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Basic information

CAS: 23904-81-6
Standard SMILES: Cc1ccccc1N1CCN(CCOC(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIKey: XPXXNOLODSOCAW-UHFFFAOYSA-N
Molecular formula: C28H31ClN2O5
Average molar mass: 511 g/mol
Monoisotopic mass: 510.1921498

Names & identifiers

Preferred name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-(o-tolyl)-, oxalate
IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-methylphenyl)piperazine;oxalic acid

Names & synonyms

23904-81-61-(2-(alpha-(p-Chlorophenyl)benzyloxy)ethyl)-4-(o-tolyl)piperazine oxalatePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-(o-tolyl)-, oxalateRefChem:372005DTXSID50946707Oxalic acid--1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methylphenyl)piperazine (1/1)

Database identifiers

CAS: 23904-81-6
PubChem CID: 91013
DTXSID: DTXSID50946707

Properties

Computed structural properties

Topological polar surface area: 90.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 553

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