Basic information
- CAS
63991-41-3- Standard SMILES
CCCCc1ccc(C(O)CN2CCCCC2)cc1- InChIKey
ASNCQEFSRZACNI-UHFFFAOYSA-N- Molecular formula
- C17H27NO
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.20926449
Names & identifiers
- Preferred name
- 1-(4-Butylphenyl)-2-piperidin-1-ylethanol
- IUPAC
- 1-(4-butylphenyl)-2-piperidin-1-ylethanol
- English name
- 4-Butyl-α-(piperidinomethyl)benzyl alcohol
- Molecular formula
- C17H27NO
- Molecular weight
- 261.4
Names & synonyms
63991-41-31-(4-butylphenyl)-2-piperidin-1-ylethanol4-Butyl-alpha-(piperidinomethyl)benzyl alcohol1-(4-butylphenyl)-2-(piperidin-1-yl)ethan-1-olDTXSID40275497DB-3164501-Piperidineethanol, α-(4-butylphenyl)-4-Butyl-α-(piperidinomethyl)benzyl alcohol
Database identifiers
- CAS
63991-41-3- PubChem CID
- 46276
- DTXSID
DTXSID40275497- Nikkaji
- J69.022H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 392.6 · 392.6±27.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- pka
- 14.32 · 14.32±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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