3-(2-Pyrrolidinyl)pyridine; (ξ)-form, N-(3-Hydroxyhexadecanoyl)
AlkaPlorer ID: AK312055
Synonym: 1-(3-Hydroxy-1-oxohexadecyl)-2-(3-pyridinyl)pyrrolidine, N-(3-Hydroxyhexadecanoyl)nornicotine
IUPAC Name: 3-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexadecan-1-one
Structure
SMILES: CCCCCCCCCCCCCC(O)CC(=O)N1CCCC1C1=CC=CN=C1
InChI: InChI=1S/C25H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(28)20-25(29)27-19-14-17-24(27)22-15-13-18-26-21-22/h13,15,18,21,23-24,28H,2-12,14,16-17,19-20H2,1H3
InChIKey: YEDDFJKSDPBWBI-UHFFFAOYSA-N
Reference
CAS: 120042-32-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nicotiana repanda | Nicotiana | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 402.6230000000001
TPSA？: 53.43
MolLogP？: 6.197200000000007
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|