4-Piperidinol, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, propionate, hydrobromide
Basic information
- CAS
14120-79-7- Standard SMILES
Br.CCC(=O)OC1(c2ccccc2)CCN(CCC2c3ccccc3CCc3ccccc32)CC1- InChIKey
BWRQJEGXIVABHV-UHFFFAOYSA-N- Molecular formula
- C31H36BrNO2
- Average molar mass
- 534.5 g/mol
- Monoisotopic mass
- 533.19294
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, propionate, hydrobromide
- IUPAC
- [4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-4-yl] propanoate;hydrobromide
Names & synonyms
14120-79-74-Piperidinol, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, propionate, hydrobromideDTXSID90161593RefChem:295697DTXCID80840841-[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)ethyl]-4-phenylpiperidin-4-yl propanoate--hydrogen bromide (1/1)
Database identifiers
- CAS
14120-79-7- PubChem CID
- 203281
- DTXSID
DTXSID90161593
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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