1,2,3,6-Tetrahydro-4-phenyl-1-(((1R)-3-phenyl-3-cyclohexen-1-yl)methyl)pyridine
Basic information
- CAS
150013-70-0- Standard SMILES
C1=C(c2ccccc2)CCN(C[C@@H]2CCC=C(c3ccccc3)C2)C1- InChIKey
XBGWTWPYCTZIIE-HXUWFJFHSA-N- Molecular formula
- C24H27N
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.21434987
Overview
RN refers to (R)-isomer; a dopamine autoreceptor agonist; structure given in first source
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-4-phenyl-1-(((1R)-3-phenyl-3-cyclohexen-1-yl)methyl)pyridine
- IUPAC
- 4-phenyl-1-[[(1R)-3-phenylcyclohex-3-en-1-yl]methyl]-3,6-dihydro-2H-pyridine
- English name
- 1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine
- Molecular formula
- C24H27N
- Molecular weight
- 329.48
Names & synonyms
TPPCMP150013-70-0Z5XDS9Z25L1,2,3,6-Tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridinePyridine, 1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)-, (R)-1,2,3,6-TETRAHYDRO-4-PHENYL-1-(((1R)-3-PHENYL-3-CYCLOHEXEN-1-YL)METHYL)PYRIDINERefChem:906633CI-1007CHEMBL335545CI 1007UNII-Z5XDS9Z25L(R)-1,2,3,6-Tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine
Show more names
Pyridine, 1,2,3,6-tetrahydro-4-phenyl-1-[[(1R)-3-phenyl-3-cyclohexen-1-yl]methyl]-(R)-4-phenyl-1-((2,3,4,5-tetrahydro-[1,1'-biphenyl]-3-yl)methyl)-1,2,3,6-tetrahydropyridine
4-phenyl-1-[[(1R)-3-phenylcyclohex-3-en-1-yl]methyl]-3,6-dihydro-2H-pyridineDTXSID10933855BDBM50048299(r)-(+)-1,2,3,6-tetrahydro-4-phenyl-1-[(3-phenyl-3-cyclohexen-1-yl)methyl]-pyridine4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,2,3,6-tetrahydro-pyridine4-Phenyl-1-[(2,3,4,5-tetrahydro[1,1'-biphenyl]-3-yl)methyl]-1,2,3,6-tetrahydropyridine4-Phenyl-1-{[(3R)-2,3,4,5-tetrahydro[1,1'-biphenyl]-3-yl]methyl}-1,2,3,6-tetrahydropyridine
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Boiling point
- 477.2 · 477.2±44.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.40(Predicted)
- FDA UNII
- 5 XDS9Z25L · Z5XDS9Z25L
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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