Compound: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
SMILES: N1(CC=C(c2ccccc2)CC1)C
InChIKey: PLRACCBDVIHHLZ-UHFFFAOYSA-N
Synonyms: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine, 28289-54-5, MPTP, PYRIDINE, 1,2,3,6-TETRAHYDRO-1-METHYL-4-PHENYL-, 1,2,3,6-Tetrahydro-1-methyl-4-phenylpyridine, N-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine, 9P21XSP91P, DTXSID8040933, NSC-139654, CHEBI:17963, RefChem:76325, DTXCID6020933, 248-939-7, 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine, 1-Methyl-4-phenyl-1,2,3,6-tetrahydroxpyridine, 1-METHYL-4-PHENYL-PIPERIDINE-3-EN, CCRIS 2186, HSDB 6942, CHEMBL24172, 1-Methyl-4-phenyl-1,2,5,6-tetrahydropyridine, NSC 139654, EINECS 248-939-7, BRN 0133712, UNII-9P21XSP91P, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine (1mg/ml in Acetonitrile), Pethidine EP Impurity B, MPTP [MI], SCHEMBL50923, Pyridine,1,2,3,6-tetrahydro-1-methyl-4-phenyl-, orb3028858, SCHEMBL3986140, BDBM50003599, MFCD00006120, NSC139654, STK191942, AKOS003657026, AS-38061, FM181659, PD033593, DB-047370, CS-0172436, NS00028451, ST45026142, C04599, N-Methyl-4-phenyl-1,2,5,6-tetrahydropyridine, 1-methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine, Q239816, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine, 97%, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine, free base, METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE, 1-, 1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE [HSDB], 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine (1 mg/ml in Acetonitrile)
Theoretical properties:
molecular_formula: C12H15N
molecular_weight: 173.25 g/mol
exact_mass: 173.120449483 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 13
topological_polar_surface_area: 3.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from heptane
color: Crystals from heptane
boiling_point: 85 to 90 °C @ 0.8 mm Hg
melting_point: 40-42 °C
vapor_pressure: 0.00945 [mmHg]
Descriptions:
pubchem: 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine is a tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. It has a role as a neurotoxin. It is a member of methylpyridines, a tetrahydropyridine and a phenylpyridine.
chebi: A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) is an organic compound. It is classified as a tetrahydropyridine. It is of interest as a precursor to the monoaminergic neurotoxin MPP+, which causes permanent symptoms of Parkinson's disease by destroying dopaminergic neurons in the substantia nigra of the brain. It has been used to study disease models in various animals.
While MPTP itself has no psychoactive effects, the compound may be accidentally produced during the manufacture of MPPP, a synthetic opioid drug with effects similar to those of morphine and pethidine (meperidine). The harmful effects of MPTP were first discovered when a group of people fell ill after injecting illegally obtained MPPP.