Basic information
- Standard SMILES
CCC(=O)OC1(c2ccccc2)CCN(C)CC1C- InChIKey
UVAZQQHAVMNMHE-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- 1,3-Dimethyl-4-phenylpiperidin-4-yl propanoate
- IUPAC
- (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
Names & synonyms
DTXSID708591031,3-dimethyl-4-phenylpiperidin-4-yl propanoateRefChem:1052874DTXCID10204012ProdinePrisilidine.alpha.-Prodine.alpha.-ProdinolDl-.alpha.-prodineNu-1196 (Salt/Mix)NCGC00168347-01(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
Show more names
1,3-Dimethyl-4-phenyl-4-piperidinol propionate, cis-1,3-Dimethyl-4-phenyl-4-piperidinyl propionate, cis-ChemDiv1_023028.alpha.-1,3-Dimethyl-4-phenyl-4-piperidinyl propionate4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate, cis-Oprea1_010034Oprea1_576081SCHEMBL25054
Database identifiers
- PubChem CID
- 6471
- DTXSID
DTXSID70859103- ChEMBL
CHEMBL1623765- Nikkaji
- J4.196C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
LogP2.43
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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