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

HCID 91019

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Basic information

CAS: 23904-89-4
Standard SMILES: Clc1ccc(C(OCCCCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
InChIKey: ZORLWJOAAFWPRX-UHFFFAOYSA-N
Molecular formula: C29H33ClN2O5
Average molar mass: 525 g/mol
Monoisotopic mass: 524.2077999

Names & identifiers

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

Names & synonyms

23904-89-41-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-phenylpiperazine oxalatePiperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-phenyl-, oxalateRefChem:372336DTXSID00946712Oxalic acid--1-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}-4-phenylpiperazine (1/1)

Database identifiers

CAS: 23904-89-4
PubChem CID: 91019
DTXSID: DTXSID00946712

Properties

Computed structural properties

Topological polar surface area: 90.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 37
Formal charge: 0
Complexity: 547

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