(3S,4S)-1-propylpiperidine-3,4-diol
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Basic information
- CAS
660403-84-9- Standard SMILES
CCCN1CC[C@H](O)[C@@H](O)C1- InChIKey
WRJKKPQGYOJWRW-YUMQZZPRSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
Names & identifiers
- Preferred name
- (3S,4S)-1-propylpiperidine-3,4-diol
- IUPAC
- (3S,4S)-1-propylpiperidine-3,4-diol
- English name
- 3,4-Piperidinediol, 1-propyl-, (3R,4R)-rel- (9CI)
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
(3S,4S)-1-propylpiperidine-3,4-diol3,4-Piperidinediol, 1-propyl-, (3S,4S)-3,4-Piperidinediol, 1-propyl-, (3R,4R)-rel-3,4-Piperidinediol, 1-propyl-, (3R,4R)-rel- (9CI)
Database identifiers
- CAS
660403-84-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 268.393 · 268.393±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.332 · 14.332±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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