Anabasine
PubChem CID: 205586
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| Compound Synonyms | 494-52-0, Anabasine, (-)-Anabasine, Neonicotine, (S)-anabasine, (S)-3-(Piperidin-2-yl)pyridine, Anabasin, Neonikotin, Anabazin, S-(-)-Anabasine, 3-[(2S)-piperidin-2-yl]pyridine, 3-(2S)-2-Piperidinylpyridine, L-3-(2'-Piperidyl)pyridine, Piperidine, 2-(3-pyridyl)-, 3-(2-Piperidinyl)pyridine, (-)-2-(3'-Pyridyl)piperidine, Pyridine, 3-(2-piperidinyl)-, (S)-, (S)-(-)-Anabasine, Pyridine, 3-(2S)-2-piperidinyl-, Pyridine, 3-(2-piperidyl)-, L-(-)-Anabasine, 2-(3'-Pyridyl) piperidine, Caswell No. 051, UNII-LMS11II2LO, LMS11II2LO, CHEBI:74, 2-(3-Pyridyl)piperidine, NSC 87504, HSDB 3462, EINECS 207-791-3, MFCD00871391, NSC-87504, Pyridine, 3-(2-pyridyl) piperidine, EPA Pesticide Chemical Code 006001, BRN 0082637, (S)-3-(2-Piperidinyl)pyridine, DTXSID9041607, 5-23-06-00096 (Beilstein Handbook Reference), CAS-494-52-0, (2S)-2-(PYRIDIN-3-YL)PIPERIDINE, (S)-Anabasine, > 98% ee, 3-((2S)-piperidin-2-yl)pyridine, NICOTINE IMPURITY G (EP IMPURITY), NICOTINE IMPURITY G [EP IMPURITY], NICOTINE RESINATE IMPURITY G (EP IMPURITY), NICOTINE RESINATE IMPURITY G [EP IMPURITY], MLS000737148, 2-(3-Pyridinyl)piperidine #, NICOTINE DITARTRATE DIHYDRATE IMPURITY G (EP IMPURITY), NICOTINE DITARTRATE DIHYDRATE IMPURITY G [EP IMPURITY], (S)-Snabasine, -(-)-Anabasine, Anabasine (Standard), Tocris-1971, ANABASINE [MI], ANABASINE [HSDB], (S)-Anabasine 100 microg/mL in Acetonitrile, 3-[(2S)-Piperidin-2-yl]pyridine (Anabasine), ANABASINE [WHO-DD], Pesticide Code: 006001, SCHEMBL3465120, (S)-Anabasine, > 70% ee, WLN: T6NJ C- BT6MTJ, CHEMBL1526229, DTXCID7021607, HY-B1532R, US8609708, 59 Anabasine, BDBM109767, 3-(2-PIPERIDYL)-PYRIDINE, (S)-3-(piperidin-2-yl)=pyridine, HY-B1532, NSC87504, 2-(3'-PYRIDYL)-PIPERIDINE, Tox21_301952, 1-3-(2'-PIPERIDYL)PYRIDINE, AKOS000277110, FA17898, DISCONTINUED. Please see A637170, NCGC00016468-01, NCGC00025333-01, NCGC00255520-01, AC-35720, AS-55183, TS-01458, 1ST165999, CS-0013343, NS00100868, EN300-691230, Y10910, (2S)-1,2,3,4,5,6-hexahydro-2,3'-bipyridinyl, BRD-K94837957-003-01-4, 3-(2S)-2-Piperidinyl-pyridine, (-)-Anabasine, (S)-(-)-Anabasine, 207-791-3 |
|---|---|
| Topological Polar Surface Area | 24.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q03164, P33261, P10635, P05177, P02710, Q9NUW8, P27695, P11509, P0DTD1, n.a., P12390, Q05941 |
| Iupac Name | 3-[(2S)-piperidin-2-yl]pyridine |
| Prediction Hob | 1.0 |
| Target Id | NPT213, NPT110, NPT208, NPT240 |
| Xlogp | 1.0 |
| Molecular Formula | C10H14N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MTXSIJUGVMTTMU-JTQLQIEISA-N |
| Fcsp3 | 0.5 |
| Logs | 0.82 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.931 |
| Compound Name | Anabasine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 162.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7609631999999995 |
| Inchi | InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1 |
| Smiles | C1CCN[C@@H](C1)C2=CN=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all