Basic information
- CAS
63917-13-5- Standard SMILES
CCN1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCCC2)C1- InChIKey
PPNCDMBYKKWNCV-UHFFFAOYSA-N- Molecular formula
- C21H31NO3
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.23039385
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester
- IUPAC
- (1-ethylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
- English name
- α-Cyclohexyl-α-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl ester
- Molecular formula
- C21H31NO3
- Molecular weight
- 345.48
Names & synonyms
63917-13-5MANDELIC ACID, alpha-CYCLOHEXYL-, 1-ETHYL-3-PIPERIDYL ESTERRefChem:1088809JB 328BRN 03184641-Ethyl-3-piperidyl-alpha-cyclohexyl mandelateDTXSID40981046alpha-cyclohexyl-alpha-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl esterDB-3218801-ethylpiperidin-3-yl cyclohexyl(hydroxy)phenylacetate1-Ethylpiperidin-3-yl cyclohexyl(hydroxy)(phenyl)acetateJB-328
Show more names
α-Cyclohexyl-α-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl esterBenzeneacetic acid, α-cyclohexyl-α-hydroxy-, 1-ethyl-3-piperidinyl ester
Database identifiers
- CAS
63917-13-5- PubChem CID
- 45264
- DTXSID
DTXSID40981046
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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