Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-pyridyl)-, oxalate

HCID 91031

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Basic information

CAS: 23904-95-2
Standard SMILES: Clc1ccc(C(OCCCCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
InChIKey: ZVXDRAAQBLMIFQ-UHFFFAOYSA-N
Molecular formula: C28H32ClN3O5
Average molar mass: 526 g/mol
Monoisotopic mass: 525.2030488

Names & identifiers

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

Names & synonyms

23904-95-21-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(2-pyridyl)piperazine oxalatePiperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-pyridyl)-, oxalateRefChem:372328DTXSID60946718Oxalic acid--1-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}-4-(pyridin-2-yl)piperazine (1/1)

Database identifiers

CAS: 23904-95-2
PubChem CID: 91031
DTXSID: DTXSID60946718

Properties

Computed structural properties

Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 37
Formal charge: 0
Complexity: 557

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