3-(2-Pyrrolidinyl)pyridine; (ξ)-form, N-(3-Hydroxy-11-methyldodecanoyl)
AlkaPlorer ID: AK312057
Synonym: 1-(3-Hydroxy-11-methyl-1-oxododecyl)-2-(3-pyridinyl)pyrrolidine, N-(3-Hydroxy-11-methyldodecanoyl)nornicotine
IUPAC Name: 3-hydroxy-11-methyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)dodecan-1-one
Structure
SMILES: CC(C)CCCCCCCC(O)CC(=O)N1CCCC1C1=CC=CN=C1
InChI: InChI=1S/C22H36N2O2/c1-18(2)10-6-4-3-5-7-12-20(25)16-22(26)24-15-9-13-21(24)19-11-8-14-23-17-19/h8,11,14,17-18,20-21,25H,3-7,9-10,12-13,15-16H2,1-2H3
InChIKey: FUOXNICVOQDEMR-UHFFFAOYSA-N
Reference
CAS: 115849-81-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nicotiana repanda | Nicotiana | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Nicotiana | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 360.542
TPSA？: 53.43
MolLogP？: 4.882800000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|