Basic information
- CAS
56338-84-2- Standard SMILES
CC(=O)O[C@H]1CN(C)CC[C@H]1c1ccccc1.Cl- InChIKey
YTBRCDIZLLUWNP-IODNYQNNSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- 3-Piperidinol, 1-methyl-4-phenyl-, acetate (ester), hydrochloride, (Z)-
- IUPAC
- [(3R,4S)-1-methyl-4-phenylpiperidin-3-yl] acetate;hydrochloride
Names & synonyms
3-Piperidinol, 1-methyl-4-phenyl-, acetate (ester), hydrochloride, (Z)-56338-84-2DTXSID50204874cis-1-Methyl-4-phenyl-3-piperidinol acetate (ester) hydrochlorideRefChem:281917DTXCID80127365(3R,4S)-1-Methyl-4-phenylpiperidin-3-yl acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
56338-84-2- PubChem CID
- 3043897
- DTXSID
DTXSID50204874
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…