4Piperidinol123trimethyl4phenylacetate
Basic information
- Standard SMILES
CC(=O)OC1(c2ccccc2)CCN(C)C(C)C1C- InChIKey
ZFXYARLZVYNJJD-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- 4Piperidinol123trimethyl4phenylacetate
- IUPAC
- (1,2,3-trimethyl-4-phenylpiperidin-4-yl) acetate
Names & synonyms
DTXSID708748364PIPERIDINOL123TRIMETHYL4PHENYLACETATERefChem:297987DTXCID301012960NOCAS_874836ChemDiv1_022984Oprea1_222797Oprea1_500631CHEMBL1624545HMS652E16ZFXYARLZVYNJJD-UHFFFAOYSA-NAKOS000601688
Show more names
1,2,3-Trimethyl-4-phenylpiperidin-4-yl acetate1,2,3-Trimethyl-4-phenyl-4-piperidinyl acetate #Acetic acid, 1,2,3-trimethyl-4-phenyl-4-piperidyl ester
Database identifiers
- PubChem CID
- 608696
- DTXSID
DTXSID70874836- ChEMBL
CHEMBL1624545
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Experimental & physicochemical properties
LogP2.51
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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