1-Chloropiperidine
Basic information
- CAS
2156-71-0- Standard SMILES
ClN1CCCCC1- InChIKey
CIQJWKNJDQKPPO-UHFFFAOYSA-N- Molecular formula
- C5H10ClN
- Average molar mass
- 119.59 g/mol
- Monoisotopic mass
- 119.050177
Names & identifiers
- Preferred name
- 1-Chloropiperidine
- IUPAC
- 1-chloropiperidine
- English name
- NISTC2156710
- Molecular formula
- C5H10ClN
- Molecular weight
- 119.59
Names & synonyms
N-Chloropiperidine1-Chloropiperidine2156-71-0PIPERIDINE, 1-CHLORO-4V5HK98PCNDTXSID10175894RefChem:163116DTXCID10983851-Chloro-PiperidineUNII-4V5HK98PCN1-CHLOROPIPERIDINE-CHLOROPIPERIDINE, N-
Show more names
NISTC2156710
NCPSCHEMBL1262242SCHEMBL22262893SCHEMBL27970402CIQJWKNJDQKPPO-UHFFFAOYSA-NAKOS025149416SY482356DB-199401
Database identifiers
- CAS
2156-71-0- PubChem CID
- 16540
- DTXSID
DTXSID10175894- UNII
- 4V5HK98PCN
- Nikkaji
- J64.214B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 124 °C · 124 °C(Solv: 1,4-dioxane (123-91-1))
- Boiling point
- 186.97 °C · 186.97°C (rough estimate)
- Density
- 1.0349 · 1.0349 (rough estimate)
- refractive index
- 1.5304 · 1.5304 (estimate)
- pka
- -1.02 · -1.02±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 V5HK98PCN · 4V5HK98PCN
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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