(+-)-Anabasine
C₁₀H₁₄N₂·162.230 g/mol·CID 2181
IUPAC: 3-piperidin-2-ylpyridine
Also known as: RefChem:390690, 13078-04-1, (+/-)-Anabasine, 3-piperidin-2-ylpyridine, DL-Anabasine (+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
0
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 swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
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
Isomers8 compounds with formula C₁₀H₁₄N₂
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 89594 · 162.2 g/mol
3-[(2S)-piperidin-2-yl]pyridine
CID 205586 · 162.2 g/mol
3-(1-methylpyrrolidin-2-yl)pyridine
CID 942 · 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