1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
3685-72-1- Standard SMILES
O=C(OC1CC[NH+](CCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
XVXVYISMBXFBHS-UHFFFAOYSA-N- Molecular formula
- C27H30ClNO2
- Average molar mass
- 436 g/mol
- Monoisotopic mass
- 435.1965069
Names & identifiers
- Preferred name
- 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- [1-(2-phenylethyl)piperidin-1-ium-4-yl] 2,2-diphenylacetate chloride
Names & synonyms
3685-72-1DTXSID609580531-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)RefChem:1054048DTXCID501385971Diphenylacetic acid N-phenethyl-4-piperidyl ester hydrochlorideACETIC ACID, DIPHENYL-, 4-(N-PHENETHYLPIPERIDYL) ESTER, HYDROCHLORIDE
Database identifiers
- CAS
3685-72-1- PubChem CID
- 19377
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…