Basic information
- CAS
40217-38-7- Standard SMILES
CC(=O)C1(O)CCN(C2CCc3ccccc3C2)CC1- InChIKey
GVYBLNPJGJCBIX-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Names & identifiers
- Preferred name
- 4-Piperidinol, 4-acetyl-1-(1,2,3,4-tetrahydro-2-naphthyl)-
- IUPAC
- 1-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]ethanone
- English name
- 4-Acetyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol
- Molecular formula
- C17H23NO2
- Molecular weight
- 273.37
Names & synonyms
BRN 147638340217-38-74-Acetyl-1-(1,2,3,4-tetrahydro-2-naphthyl)-4-piperidinol4-Piperidinol, 4-acetyl-1-(1,2,3,4-tetrahydro-2-naphthyl)-5-21-12-00040 (Beilstein Handbook Reference)RefChem:295846DTXSID009606354-Acetyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol1-[4-Hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]ethan-1-oneEthanone, 1-[4-hydroxy-1-(1,2,3,4-tetrahydro-2-naphthalenyl)-4-piperidinyl]-
Database identifiers
- CAS
40217-38-7- PubChem CID
- 218082
- DTXSID
DTXSID00960635- Nikkaji
- J50.691E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 448.9 · 448.9±45.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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