Basic information
- Standard SMILES
SCCCN1CCN(CCCc2ccc(Cl)cc2)CC1- InChIKey
WRFMBXMEXMMSTI-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2S
- Average molar mass
- 312.9 g/mol
Names & identifiers
- Preferred name
- 3-{4-[3-(4-Chlorophenyl)propyl]piperazin-1-yl}propanethiol
- IUPAC
- 3-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]propane-1-thiol
Names & synonyms
SCHEMBL10665669WRFMBXMEXMMSTI-UHFFFAOYSA-N3-{4-[3-(4-chlorophenyl)propyl]piperazin-1-yl}propanethiol
Database identifiers
- PubChem CID
- 13731129
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 7.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 249
Related reactions
1 records
Linked notes
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