(3S,5S)-3,5-dimethylpiperidine
Basic information
- CAS
32452-46-3- Standard SMILES
C[C@@H]1CNC[C@@H](C)C1- InChIKey
IDWRJRPUIXRFRX-BQBZGAKWSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- (3S,5S)-3,5-dimethylpiperidine
- IUPAC
- (3S,5S)-3,5-dimethylpiperidine
- English name
- 3α,5β-Dimethylpiperidine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
(3S,5S)-3,5-dimethylpiperidine914303-13-232452-46-3rel-(3R,5R)-3,5-dimethylpiperidineSCHEMBL1427997trans-(3,5-dimethylpiperidine)IDWRJRPUIXRFRX-BQBZGAKWSA-NDTXSID801297092TRANS-3,5-DIMETHYLPIPERIDING62614Q40838069trans-3,5-Lupetidine
Show more names
trans-3,5-Dimethyl-piperidinePiperidine, 3,5-dimethyl-, (3R,5R)-rel-
Database identifiers
- CAS
32452-46-3- PubChem CID
- 7058087
- DTXSID
DTXSID801297092
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.8
Physicochemical properties
- Boiling point
- 141.2 · 141.2±8.0 °C(Predicted)
- Density
- 0.794 · 0.794±0.06 g/cm3(Predicted)
- pka
- 10.52 · 10.52±0.10(Predicted)
Related reactions
3 records
Compound notes
Loading…