1-Propanol, 1,1-di(thien-3-yl)-3-piperidino-, hydrobromide
Basic information
- CAS
17531-87-2- Standard SMILES
Br.OC(CCN1CCCCC1)(c1ccsc1)c1ccsc1- InChIKey
FEIPWYNPHHVGQG-UHFFFAOYSA-N- Molecular formula
- C16H22BrNOS2
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 387.03262
Names & identifiers
- Preferred name
- 1-Propanol, 1,1-di(thien-3-yl)-3-piperidino-, hydrobromide
- IUPAC
- 3-piperidin-1-yl-1,1-di(thiophen-3-yl)propan-1-ol;hydrobromide
Names & synonyms
1-Propanol, 1,1-di(thien-3-yl)-3-piperidino-, hydrobromide1,1-Dithien-3-yl-3-piperidino-1-propanol hydrobromide17531-87-2DTXSID70169971RefChem:234615DTXCID90924623-(Piperidin-1-yl)-1,1-di(thiophen-3-yl)propan-1-ol--hydrogen bromide (1/1)
Database identifiers
- CAS
17531-87-2- PubChem CID
- 205164
- DTXSID
DTXSID70169971
Properties
Computed structural properties
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
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Related reactions
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Compound notes
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