3-[4-(4-Chlorobenzyl)-2,5-dimethylpiperazin-1-yl]propanethiol dihydrochloride

HCID 20153172
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Basic information

Standard SMILES
CC1CN(Cc2ccc(Cl)cc2)C(C)CN1CCCS.Cl.Cl
InChIKey
MCHFNTMSOVVQKA-UHFFFAOYSA-N
Molecular formula
C16H27Cl3N2S
Average molar mass
385.8 g/mol

Names & identifiers

Preferred name
3-[4-(4-Chlorobenzyl)-2,5-dimethylpiperazin-1-yl]propanethiol dihydrochloride
IUPAC
3-[4-[(4-chlorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]propane-1-thiol;dihydrochloride

Names & synonyms

SCHEMBL10665242MCHFNTMSOVVQKA-UHFFFAOYSA-N3-[4-(4-chlorobenzyl)-2,5-dimethylpiperazin-1-yl]propanethiol dihydrochloride

Database identifiers

PubChem CID
20153172

Properties

Computed structural properties

Topological polar surface area
7.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
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Compound notes

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