Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(m-tolyl)-, oxalate

HCID 91029

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Basic information

CAS: 23904-94-1
Standard SMILES: Cc1cccc(N2CCN(CCCCOC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.O=C(O)C(=O)O
InChIKey: OMWNBRFCWBLPRG-UHFFFAOYSA-N
Molecular formula: C30H35ClN2O5
Average molar mass: 539.1 g/mol
Monoisotopic mass: 538.2234499

Names & identifiers

Preferred name: Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(m-tolyl)-, oxalate
IUPAC: 1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-(3-methylphenyl)piperazine;oxalic acid

Names & synonyms

23904-94-11-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(m-tolyl)piperazine oxalatePiperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(m-tolyl)-, oxalateRefChem:372331DTXSID00946717Oxalic acid--1-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}-4-(3-methylphenyl)piperazine (1/1)

Database identifiers

CAS: 23904-94-1
PubChem CID: 91029
DTXSID: DTXSID00946717

Properties

Computed structural properties

Topological polar surface area: 90.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 38
Formal charge: 0
Complexity: 581

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