Basic information
- CAS
1249123-29-2- Standard SMILES
c1csc(CCCCN2CCNCC2)c1- InChIKey
AIEFBUKVUISQRE-UHFFFAOYSA-N- Molecular formula
- C12H20N2S
- Average molar mass
- 224.37 g/mol
- Monoisotopic mass
- 224.13471982
Names & identifiers
- Preferred name
- 1-[4-(2-Thienyl)butyl]piperazine
- IUPAC
- 1-(4-thiophen-2-ylbutyl)piperazine
Names & synonyms
SCHEMBL9378269DTXSID2013015461-[4-(2-Thienyl)butyl]piperazineAKOS0117776461-[4-(Thiophen-2-yl)butyl]piperazine1249123-29-2
Database identifiers
- CAS
1249123-29-2- PubChem CID
- 62488694
- DTXSID
DTXSID201301546
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…