Basic information
- CAS
5076-30-2- Standard SMILES
OC1(C#Cc2ccc(C#CCN3CCCCC3)cc2)CCCCC1- InChIKey
TVSLPSZUXLPPRE-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- Cyclohexanol, 1-(2-(p-(3-piperidino-1-propynyl)phenyl)ethynyl)-
- IUPAC
- 1-[2-[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
- English name
- 1-[[p-(3-Piperidino-1-propynyl)phenyl]ethynyl]cyclohexanol
- Molecular formula
- C22H27NO
- Molecular weight
- 321.46
Names & synonyms
1-(2-(p-(3-Piperidino-1-propynyl)phenyl)ethynyl)cyclohexanol5076-30-2Cyclohexanol, 1-(2-(p-(3-piperidino-1-propynyl)phenyl)ethynyl)-DTXSID20198791RefChem:335446DTXCID801212821-[[p-(3-Piperidino-1-propynyl)phenyl]ethynyl]cyclohexanol1-({4-[3-(Piperidin-1-yl)prop-1-yn-1-yl]phenyl}ethynyl)cyclohexan-1-ol1-[[4-[3-(1-Piperidinyl)-1-propynyl]phenyl]ethynyl]-1-cyclohexanolCyclohexanol, 1-[2-[4-[3-(1-piperidinyl)-1-propyn-1-yl]phenyl]ethynyl]-
Database identifiers
- CAS
5076-30-2- PubChem CID
- 199826
- DTXSID
DTXSID20198791- Nikkaji
- J48.244G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Melting point
- 86 · 86.0-86.5 °C
- Boiling point
- 477.5 · 477.5±40.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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