Cyclohexanol, 4-piperidino-, acetate (ester)
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Basic information
- CAS
1531-94-8- Standard SMILES
CC(=O)OC1CCC(N2CCCCC2)CC1- InChIKey
HCDGMLMWTNNERJ-UHFFFAOYSA-N- Molecular formula
- C13H23NO2
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.17287898
Names & identifiers
- Preferred name
- Cyclohexanol, 4-piperidino-, acetate (ester)
- IUPAC
- (4-piperidin-1-ylcyclohexyl) acetate
- English name
- 4-Piperidinocyclohexyl=acetate
- Molecular formula
- C13H23NO2
- Molecular weight
- 225.33
Names & synonyms
4-Piperidinocyclohexyl acetate1531-94-8Cyclohexanol, 4-piperidino-, acetate (ester)BRN 15693264-(1-Piperidinyl)cyclohexanol acetate (ester)Cyclohexanol, 4-(1-piperidinyl)-, acetate (ester)DTXSID60165220RefChem:335527DTXCID2087711Cyclohexanol, 4-(1-piperidinyl)-, acetate (ester) (9CI)4-Piperidinocyclohexyl=acetate(4-piperidin-1-ylcyclohexyl) acetate
Show more names
Cyclohexanol, 4-(1-piperidinyl)-, 1-acetate
4-(PIPERIDIN-1-YL)CYCLOHEXYL ACETATE
Database identifiers
- CAS
1531-94-8- PubChem CID
- 200338
- DTXSID
DTXSID60165220- Nikkaji
- J77.834F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 297.4 · 297.4±33.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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