Basic information
- CAS
54751-94-9- Standard SMILES
CCCC1CCC(OC(C)=O)CN1C(C)=O- InChIKey
ODCFGWACSGXNJO-UHFFFAOYSA-N- Molecular formula
- C12H21NO3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.15214353
Names & identifiers
- Preferred name
- 1-Acetyl-6-propyl-3-piperidinyl acetate
- IUPAC
- (1-acetyl-6-propylpiperidin-3-yl) acetate
- English name
- Acetic acid 1-acetyl-6-propylpiperidin-3-yl ester
- Molecular formula
- C12H21NO3
- Molecular weight
- 227.3
Names & synonyms
1-Acetyl-6-propyl-3-piperidinyl acetate54751-94-9DTXSID40339664RefChem:227331DTXCID802907451-acetyl-6-propylpiperidin-3-yl acetateAcetic acid 1-acetyl-6-propylpiperidin-3-yl ester3-Piperidinol, 1-acetyl-6-propyl-, acetate (ester)ODCFGWACSGXNJO-UHFFFAOYSA-N1-Acetyl-6-propyl-3-piperidinyl acetate #DB-318529Ethanone, 1-[5-(acetyloxy)-2-propyl-1-piperidinyl]-
Database identifiers
- CAS
54751-94-9- PubChem CID
- 557697
- DTXSID
DTXSID40339664- Nikkaji
- J122.352F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 336.3 · 336.3±35.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- -1.78 · -1.78±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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