Basic information
- CAS
18787-40-1- Standard SMILES
CCCCCCCCc1ccc(C(=O)CCN2CCCCC2)cc1.Cl- InChIKey
LFFGFUOUGYTIMI-UHFFFAOYSA-N- Molecular formula
- C22H36ClNO
- Average molar mass
- 366 g/mol
- Monoisotopic mass
- 365.2485425
Overview
RN given refers to HCl salt
Names & identifiers
- Preferred name
- Nioben
- IUPAC
- 1-(4-octylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
Nioben18787-40-1DTXSID501721001-piperidino-3-(4-n-octylphenyl)propan-3-oneRefChem:165963DTXCID3094591Pipoctanone hydrochlorideN-11134'-Octyl-3-piperidinopropiophenone hydrochloride1-Piperidino-3-(p-octylphenyl)-3-propanone hydrochloride1-Piperidino-3-(4'-octylphenyl)-propan-3-on-hydrochlorid [German]Propiophenone, 4'-octyl-3-piperidino-, hydrochloride
Show more names
1-Piperidino-3-(4'-octylphenyl)-propan-3-on-hydrochlorid1-(4-octylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride1-(4-Octylphenyl)-3-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
18787-40-1- PubChem CID
- 197969
- DTXSID
DTXSID50172100
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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