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

HCID 91021

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Basic information

CAS: 23904-90-7
Standard SMILES: Clc1ccc(C(OCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
InChIKey: ILBOIKSNLRDLSZ-UHFFFAOYSA-N
Molecular formula: C29H32Cl2N2O5
Average molar mass: 559.5 g/mol
Monoisotopic mass: 558.1688275

Names & identifiers

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

Names & synonyms

23904-90-71-(o-Chlorophenyl)-4-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)piperazine oxalatePiperazine, 1-(o-chlorophenyl)-4-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-, oxalateRefChem:372505DTXSID60946713Oxalic acid--1-(2-chlorophenyl)-4-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}piperazine (1/1)

Database identifiers

CAS: 23904-90-7
PubChem CID: 91021
DTXSID: DTXSID60946713

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: 585

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