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

HCID 91059

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Basic information

CAS: 23917-54-6
Standard SMILES: Clc1ccc(C(OCCN2CCN(c3ccccc3Cl)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
InChIKey: SOBSYWZMOWMLLX-UHFFFAOYSA-N
Molecular formula: C27H28Cl2N2O5
Average molar mass: 531.4 g/mol
Monoisotopic mass: 530.1375274

Names & identifiers

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

Names & synonyms

23917-54-61-(o-Chlorophenyl)-4-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)piperazine oxalatePiperazine, 1-(o-chlorophenyl)-4-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-, oxalateRefChem:372498DTXSID40946736Oxalic acid--1-(2-chlorophenyl)-4-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperazine (1/1)

Database identifiers

CAS: 23917-54-6
PubChem CID: 91059
DTXSID: DTXSID40946736

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: 557

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