1-[2-[(4-Chlorophenyl)thio]ethyl]piperazine
Basic information
- CAS
55846-52-1- Standard SMILES
Clc1ccc(SCCN2CCNCC2)cc1- InChIKey
FVOKHIPBMNMPQX-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2S
- Average molar mass
- 256.8 g/mol
- Monoisotopic mass
- 256.0800974
Names & identifiers
- Preferred name
- 1-[2-[(4-Chlorophenyl)thio]ethyl]piperazine
- IUPAC
- 1-[2-(4-chlorophenyl)sulfanylethyl]piperazine
Names & synonyms
1-[2-[(4-Chlorophenyl)thio]ethyl]piperazine55846-52-1CHEMBL1625657SCHEMBL11820760DTXSID101263389AKOS0109505791-{2-[(4-Chlorophenyl)sulfanyl]ethyl}piperazine
Database identifiers
- CAS
55846-52-1- PubChem CID
- 895313
- DTXSID
DTXSID101263389- ChEMBL
CHEMBL1625657
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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