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COCONUT Compound

N-Methylanabasine

CNP0306364.1 · C11H16N2 · View on COCONUT ↗

2D Structure

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Identifiers

NameN-Methylanabasine
IUPAC Name3-[(2~{S})-1-methyl-2-piperidyl]pyridine
COCONUT IDCNP0306364.1
CAS24380-92-5
InChIKeyWHAIHNKQZOMXJJ-NSHDSACASA-N
InChIInChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1
SMILESCN1CCCC[C@H]1C1=CC=CN=C1

Properties

Molecular FormulaC11H16N2
Molecular Weight176.26
Exact Mass176.13135
Log P (ALogP)2.24
TPSA16.13
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.65
NP-likeness-0.41

Classification

NP PathwayAlkaloids
NP SuperclassLysine alkaloids
NP ClassPiperidine alkaloids
Chemical SuperclassAlkaloids and derivatives
Chemical Class
Chemical SubclassAlkaloids and derivatives

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum L.” in COCONUT

References (5)

  1. 10.1002/biuz.19840140514
  2. 10.1002/food.19880321030
  3. 10.1016/0031-9422(95)00562-5
  4. 10.1016/j.lfs.2005.09.009
  5. 10.1016/s0021-9673(00)81822-1

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.