1-[(5-Chloro-1-benzothiophen-3-yl)methyl]piperidine
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Basic information
- CAS
54524-59-3- Standard SMILES
Clc1ccc2scc(CN3CCCCC3)c2c1- InChIKey
AVUJQDWGFOVYCY-UHFFFAOYSA-N- Molecular formula
- C14H16ClNS
- Average molar mass
- 265.8 g/mol
- Monoisotopic mass
- 265.0691984
Names & identifiers
- Preferred name
- 1-[(5-Chloro-1-benzothiophen-3-yl)methyl]piperidine
- IUPAC
- 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine
- English name
- 1-[(5-chloro-1-benzothien-3-yl)methyl]piperidine
- Molecular formula
- C14H16ClNS
- Molecular weight
- 265.8
Names & synonyms
1-[(5-chloro-1-benzothien-3-yl)methyl]piperidineOprea1_066323AA-516/124322471-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidineCHEMBL1621638Piperidine, 1-[(5-chlorobenzo[b]thien-3-yl)methyl]-
Database identifiers
- CAS
54524-59-3- PubChem CID
- 821719
- ChEMBL
CHEMBL1621638
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 376.6 · 376.6±27.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 8.83 · 8.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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