Compound: (+-)-Anabasine
SMILES: n1cc(ccc1)C2NCCCC2
InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-N
Synonyms: (+-)-Anabasine, RefChem:390690, 13078-04-1, (+/-)-Anabasine, 3-piperidin-2-ylpyridine, DL-Anabasine, 2-(3-Pyridyl)piperidine, Pyridine, 3-(2-piperidinyl)-, (+/-) Anabasine, (R,S)-ANABASINE, 2-Pyridin-3-ylpiperidine, 3-(2-piperidyl)pyridine, MFCD00006370, 40774-73-0, 2-(3-Pyridinyl)piperidine, ( inverted exclamation markA) Anabasine, CHEMBL280963, 1,2,3,4,5,6-Hexahydro-[2,3']Bipyridinyl, (+/-)Anabasine, 3-[(2RS)-Piperidin-2-yl]pyridine ((RS)-Anabasine), MLS000737148, 2-(3-Pyridinyl)piperidine #, rac-Anabasine, SR-01000765740, () Anabasine, (R,S)-3-(2-Piperidinyl)Pyridine, Spectrum_000023, Anabasine, (+/-), Anabasine, >=97%, SpecPlus_000616, (.+/-.)-Anabasine, Anabasine, (+/-)-, Prestwick0_000669, Prestwick1_000669, Prestwick2_000669, Spectrum2_001792, Spectrum3_001356, Spectrum4_000071, Spectrum4_001899, Spectrum5_000558, 2-(3-PYRIDYL)PIPERIDINE/(-)-ANABASINE, 8AJ6KMH2D9, BSPBio_003171, KBioGR_000621, KBioGR_002463, KBioSS_000383, DivK1c_006712, SCHEMBL117530, 2-(pyridin-3-yl)-piperidine, SPBio_001743, SPBio_002658, orb1301109, SCHEMBL1462347, SCHEMBL30835558, KBio1_001656, KBio2_000383, KBio2_002951, KBio2_005519, KBio3_002391, DTXSID50859409, HMS1570E19, HMS2269F13, rac.-2-(pyridin-3-yl)piperidine, ALBB-006068, MSK20296, BDBM50026461, EBC-03276, PDSP1_000171, PDSP2_000170, SBB000142, STK028316, AKOS000276953, AKOS016050677, PYRIDINE,3-(2-PIPERIDINYL)-, AB00736, AB07621, AB49757, CCG-208545, FA17897, HY-W052144, PS-4547, SDCCGMLS-0066614.P001, SMP2_000070, NCGC00017173-02, NCGC00163365-01, AC-10023, SMR000528391, ST018408, SY062144, DB-008085, DB-015784, CS-0044923, NS00010643, (+/-)-Anabasine, >=90% (TLC), liquid, EN300-95113, C06180, N10845, F068881, Q419308, SR-01000765740-4, BRD-A24284985-001-09-9, BRD-A24284985-003-03-8, E48D8A38-D352-4AA3-BCCF-B14E46A0556C, F2158-0913
Theoretical properties:
molecular_formula: C10H14N2
molecular_weight: 162.23 g/mol
exact_mass: 162.115698455 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 24.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 9 °C
solubility: 1000 mg/mL at 25 °C
Descriptions:
pubchem: Anabasine is a pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. It has a role as a nicotinic acetylcholine receptor agonist, a teratogenic agent and a plant metabolite. It is a piperidine alkaloid and a pyridine alkaloid.
chebi: A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3.
chembl: DL-ANABASINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Anabasine is a pyridine and piperidine alkaloid found in the tree tobacco (Nicotiana glauca) plant, as well as in tree tobacco's close relative the common tobacco plant (Nicotiana tabacum). It is a structural isomer of, and chemically similar to, nicotine. It has been used as an insecticide.
Anabasine is present in trace amounts in tobacco smoke, and can be used as an indicator of a person's exposure to tobacco smoke.