1,3-Bis[4-(3-chlorobenzyl)-1-piperazinyl]propane dihydrochloride monohydrate

HCID 20152239
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Basic information

Standard SMILES
Cl.Cl.Clc1cccc(CN2CCN(CCCN3CCN(Cc4cccc(Cl)c4)CC3)CC2)c1.O
InChIKey
DPEQXGJQNAMZQC-UHFFFAOYSA-N
Molecular formula
C25H38Cl4N4O
Average molar mass
552.4 g/mol

Names & identifiers

Preferred name
1,3-Bis[4-(3-chlorobenzyl)-1-piperazinyl]propane dihydrochloride monohydrate
IUPAC
1-[(3-chlorophenyl)methyl]-4-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazine;hydrate;dihydrochloride

Names & synonyms

SCHEMBL10502915DPEQXGJQNAMZQC-UHFFFAOYSA-N1,3-bis[4-(3-chlorobenzyl)-1-piperazinyl]propane dihydrochloride monohydrate

Database identifiers

PubChem CID
20152239

Properties

Computed structural properties

Topological polar surface area
14 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
34

Related reactions

1 records
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Compound notes

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