(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
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Basic information
- CAS
501-02-0- Standard SMILES
C/C=C/[C@H]1CCC[C@@H](C)N1- InChIKey
CXQRNYIKPJXYLU-ZHBVTVBMSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Overview
Pinidine is a piperidine alkaloid.
Names & identifiers
- Preferred name
- (2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
- IUPAC
- (2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidine
- English name
- (2R,6R)-2-methyl-6-prop-1-enyl-piperidine
- Molecular formula
- C9H17N
- Molecular weight
- 139.24
Names & synonyms
Pinidine(-)-Pinidine501-02-0Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-(2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidine(2R,6R)-2-methyl-6-[(1E)-prop-1-en-1-yl]piperidineCHEBI:8217DTXSID701241341(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine(2R,6R)-2-methyl-6-((E)-prop-1-enyl)piperidine(2R,6R)-2-methyl-6-((1E)-prop-1-en-1-yl)piperidineRefChem:1049908
Show more names
2α-Methyl-6α-[(E)-1-propenyl]piperidine(2R,6R)-2-methyl-6-prop-1-enyl-piperidine(2R)-2-Methyl-6α-[(E)-1-propenyl]piperidinePiperidine, 2-methyl-6-(1E)-1-propen-1-yl-, (2R,6R)-
DTXCID601672238SCHEMBL296464162-Methyl-6-(1-propenyl)piperidine (2R-(2alpha,6alpha(E)))-NS00094148Q27107983
Database identifiers
- CAS
501-02-0- PubChem CID
- 5281689
- DTXSID
DTXSID701241341- ChEBI
CHEBI:8217- Nikkaji
- J12.240H、J961.148G
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 176 · 176-7oC/751mm
- Density
- 0.879 · 0.879±0.06 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.10(Predicted)
Chemistry & industry
Applications
DescriptionA piperidine alkaloid isolated from Pinus jeffreyi, P. sabiniana Doug!., and P. torreyana, this base is a colourless liquid which is laevorotatory with [Ql~~9 - 10.5° and [Ql~j5 - 23.4° (c 1.88, EtOH). It yields a crystalline hydrochloride as colourless needles from EtOH-AcOEt, m.p. 244-6°C and a methiodide, m.p. 214-8°C. The structure has been determined by spectroscopic methods as 2-methyl-6-( trans-2-propeny I)-piperidine.
Additional notes
DefinitionChEBI: Pinidine is a piperidine alkaloid.
Related reactions
0 records
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Compound notes
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