Piperidine, 1-(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, fumarate (1:1)
Basic information
- CAS
16679-30-4- Standard SMILES
O=C(O)/C=C/C(=O)O.c1ccc2c(c1)CSc1ccccc1C2OCCN1CCCCC1- InChIKey
RMTRBIRCWRHHKK-WLHGVMLRSA-N- Molecular formula
- C25H29NO5S
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.1766442
Names & identifiers
- Preferred name
- Piperidine, 1-(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, fumarate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
Names & synonyms
1-(2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)piperidine fumaratePiperidine, 1-(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, fumarate (1:1)16679-30-4RefChem:372926
Database identifiers
- CAS
16679-30-4- PubChem CID
- 6444745
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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