Basic information
- CAS
143919-45-3- Standard SMILES
CCOC(=O)O[C@]1(c2cccc(OC(C)C)c2)CCN(CC)C[C@@H]1C- InChIKey
TVJGHDFLWMNKOB-OXJNMPFZSA-N- Molecular formula
- C20H31NO4
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.22530847
Names & identifiers
- Preferred name
- Carbonic acid, ethyl 1-ethyl-3-methyl-4-[3-(1-methylethoxy)phenyl]-4-piperidinyl ester, cis-
- IUPAC
- ethyl [(3S,4R)-1-ethyl-3-methyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] carbonate
Names & synonyms
143919-45-3Carbonic acid, ethyl 1-ethyl-3-methyl-4-[3-(1-methylethoxy)phenyl]-4-piperidinyl ester, cis-DTXSID901119625Ethyl (3S,4R)-1-ethyl-3-methyl-4-{3-[(propan-2-yl)oxy]phenyl}piperidin-4-yl carbonate
Database identifiers
- CAS
143919-45-3- PubChem CID
- 125271908
- DTXSID
DTXSID901119625
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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