Basic information
- CAS
13977-90-7- Standard SMILES
CCCSc1ccccc1N1CCN(CCCCCO)CC1- InChIKey
AMCWNYKVFCIRRT-UHFFFAOYSA-N- Molecular formula
- C18H30N2OS
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.20788476
Names & identifiers
- Preferred name
- CI-383 free base
- IUPAC
- 5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol
Names & synonyms
CI-383 free base4-(0-(PROPYLTHIO)PHENYL)-1-PIPERAZINEPENTANOLV8X8H16FP013977-90-74-(2-(Propylthio)phenyl)-1-piperazinepentanol1-Piperazinepentanol, 4-(2-(propylthio)phenyl)-1-Piperazinepentanol, 4-(O-(propylthio)phenyl)-UNII-V8X8H16FP05-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-olDTXSID10274811Q272916745-{4-[2-(propylsulfanyl)phenyl]piperazin-1-yl}pentan-1-ol
Database identifiers
- CAS
13977-90-7- PubChem CID
- 26366
- DTXSID
DTXSID10274811- UNII
- V8X8H16FP0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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