3-(2-Methylpiperidin-1-yl)propyl cyclohexylacetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
64046-51-1- Standard SMILES
CC1CCCCN1CCCOC(=O)CC1CCCCC1- InChIKey
TUUUNXKJLMHVRJ-UHFFFAOYSA-N- Molecular formula
- C17H31NO2
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.23547923
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl cyclohexylacetate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 2-cyclohexylacetate
- English name
- Cyclohexylacetic acid 3-(2-methylpiperidino)propyl ester
- Molecular formula
- C17H31NO2
- Molecular weight
- 281.43
Names & synonyms
64046-51-1DTXSID709821823-(2-Methylpiperidin-1-yl)propyl cyclohexylacetateRefChem:1066598DTXCID8014094473-(2-methylpiperidin-1-yl)propyl 2-cyclohexylacetate3-(2'-Methylpiperidino)propyl cyclohexylacetateACETIC ACID, CYCLOHEXYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERCyclohexylacetic acid 3-(2-methylpiperidino)propyl esterDB-307778Cyclohexaneacetic acid, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
64046-51-1- PubChem CID
- 46636
- DTXSID
DTXSID70982182- Nikkaji
- J85.239B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 383.2 · 383.2±25.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- pka
- 9.44 · 9.44±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…