4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride
Basic information
- CAS
3684-25-1- Standard SMILES
COc1cc(C(=O)OC2CCN(CCc3ccccc3)CC2)cc(OC)c1OC.Cl- InChIKey
VVGKQRFDRAPBDF-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO5
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.1812508
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride
- IUPAC
- [1-(2-phenylethyl)piperidin-4-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride3684-25-11-Phenethyl-4-piperidyl 3,4,5-trimethoxybenzoate hydrochlorideDTXSID10190300Benzoic acid, 3,4,5-trimethoxy-, 1-phenethyl-4-piperidinyl ester, hydrochlorideRefChem:295802DTXCID801127911-(2-Phenylethyl)piperidin-4-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
3684-25-1- PubChem CID
- 199086
- DTXSID
DTXSID10190300
Properties
Computed structural properties
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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