Anabasine
C₁₀H₁₄N₂·162.230 g/mol·CID 205586
IUPAC: 3-[(2S)-piperidin-2-yl]pyridine
Also known as: 494-52-0, (-)-Anabasine, (S)-anabasine, Neonicotine, Neonikotin (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
162.230g/mol
Exact Mass
162.115698Da
Monoisotopic Mass
162.115698Da
XLogP
1.0
Polar Surface Area
24.9Ų
Complexity
136
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
12
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 162.2 g/mol
MW ≤ 500
✓ 1.0
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H300Fatal if swallowedH301Toxic if swallowedH310Fatal in contact with skinH315Causes skin irritationH319Causes serious eye irritationH361Suspected of damaging fertility or the unborn childH411Toxic to aquatic life with long lasting effectsH227Combustible liquidH371May cause damage to organs
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
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
Isomers8 compounds with formula C₁₀H₁₄N₂
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 89594 · 162.2 g/mol
3-(1-methylpyrrolidin-2-yl)pyridine
CID 942 · 162.2 g/mol
3-piperidin-2-ylpyridine
CID 2181 · 162.2 g/mol
1-phenylpiperazine
CID 7096 · 162.2 g/mol
(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
CID 5310967 · 162.2 g/mol
N-(2,4-dimethylphenyl)-N'-methylmethanimidamide
CID 36326 · 162.2 g/mol
3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 157672 · 162.2 g/mol
3-[(2R)-piperidin-2-yl]pyridine
CID 641266 · 162.2 g/mol