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

HCID 91025

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Basic information

CAS: 23904-92-9
Standard SMILES: COc1ccc(N2CCN(CCCCOC(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.O=C(O)C(=O)O
InChIKey: LWPCXOSMXDPQFS-UHFFFAOYSA-N
Molecular formula: C30H35ClN2O6
Average molar mass: 555.1 g/mol
Monoisotopic mass: 554.2183645

Names & identifiers

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

Names & synonyms

23904-92-91-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(p-methoxyphenyl)piperazine oxalatePiperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(p-methoxyphenyl)-, oxalateRefChem:372334DTXSID80946715Oxalic acid--1-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}-4-(4-methoxyphenyl)piperazine (1/1)

Database identifiers

CAS: 23904-92-9
PubChem CID: 91025
DTXSID: DTXSID80946715

Properties

Computed structural properties

Topological polar surface area: 99.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 39
Formal charge: 0
Complexity: 592

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