(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-ol
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Basic information
- CAS
731758-74-0- Standard SMILES
CC(C)[C@H]1[C@H](O)C[C@H](C)CN1C- InChIKey
HGPVQYXVJIUWJX-AEJSXWLSSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-ol
- IUPAC
- (2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-ol
- English name
- 3-Piperidinol,1,5-dimethyl-2-(1-methylethyl)-,(2alpha,3bta,5bta)-(9CI)
- Molecular formula
- C10H21NO
- Molecular weight
- 171.28
Names & synonyms
3-Piperidinol, 1,5-dimethyl-2-(1-methylethyl)-, (2R,3S,5R)-rel-3-Piperidinol,1,5-dimethyl-2-(1-methylethyl)-,(2alpha,3bta,5bta)-(9CI)
Database identifiers
- CAS
731758-74-0- PubChem CID
- 1415613
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 229 · 229.0±33.0 °C(Predicted)
- Density
- 0.917 · 0.917±0.06 g/cm3(Predicted)
- pka
- 14.94 · 14.94±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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