Basic information
- CAS
1005089-99-5- Standard SMILES
CC1=CC(C)C(COC(=O)CN2CCCCC2)C(C)C1- InChIKey
UUJZAPVGHSXVSM-UHFFFAOYSA-N- Molecular formula
- C17H29NO2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.21982917
Names & identifiers
- Preferred name
- (2,4,6-Trimethylcyclohex-3-en-1-yl)methyl 2-piperidin-1-ylacetate
- IUPAC
- (2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-piperidin-1-ylacetate
Names & synonyms
1005089-99-5(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)METHYL 2-(PIPERIDIN-1-YL)ACETATE(2,4,6-trimethylcyclohex-3-en-1-yl)methyl piperidin-1-ylacetate(2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-piperidin-1-ylacetateMLS000333826CHEMBL1717323DTXSID501103717HMS2797K09STK061603AKOS001647764AKOS022079045SMR000440199
Show more names
ST011734SR-01000460251SR-01000460251-1(2,4,6-trimethylcyclohex-3-enyl)methyl 2-piperidylacetate(2,4,6-trimethylcyclohex-3-en-1-yl)methyl (piperidin-1-yl)acetatePiperidin-1-yl-acetic acid 2,4,6-trimethyl-cyclohex-3-enylmethyl ester
Database identifiers
- CAS
1005089-99-5- PubChem CID
- 2855366
- DTXSID
DTXSID501103717- ChEMBL
CHEMBL1717323
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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