1-Ethyl-4-phenyl-1,2,3,6-tetrahydropyridine
Basic information
- CAS
13314-63-1- Standard SMILES
CCN1CC=C(c2ccccc2)CC1- InChIKey
YQYRYHNCVCFNHU-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Ethyl-4-phenyl-1,2,3,6-tetrahydropyridine
- IUPAC
- 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine
- English name
- 1-ethyl-4-phenyl-1,2,3,6-tetrahydropyridine
- Molecular formula
- C13H17N
- Molecular weight
- 187.28
Names & synonyms
1-Ethyl-4-phenyl-1,2,3,6-tetrahydropyridine13314-63-1EPTPDTXSID50157977RefChem:75756DTXCID4080468Pyridine, 1-ethyl-1,2,3,6-tetrahydro-4-phenyl-CHEMBL101362SCHEMBL5535114SCHEMBL10241131ethyl-4-phenyl-1,2,3,6-tetrahydropyridine
Database identifiers
- CAS
13314-63-1- PubChem CID
- 83335
- DTXSID
DTXSID50157977- ChEMBL
CHEMBL101362- Nikkaji
- J518.595E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
LogP3.18
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…