3-(2-Pyrrolidinyl)pyridine; (ξ)-form, N-(3-Hydroxy-14-methylpentadecanoyl)
AlkaPlorer ID: AK312058
Synonym: 1-(3-Hydroxy-14-methyl-1-oxopentadecyl)-2-(3-pyridinyl)pyrrolidine, N-(3-Hydroxy-14-methylpentadecanoyl)nornicotine
IUPAC Name: 3-hydroxy-14-methyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentadecan-1-one
Structure
SMILES: CC(C)CCCCCCCCCCC(O)CC(=O)N1CCCC1C1=CC=CN=C1
InChI: InChI=1S/C25H42N2O2/c1-21(2)13-9-7-5-3-4-6-8-10-15-23(28)19-25(29)27-18-12-16-24(27)22-14-11-17-26-20-22/h11,14,17,20-21,23-24,28H,3-10,12-13,15-16,18-19H2,1-2H3
InChIKey: XATAKNGKWFWLGF-UHFFFAOYSA-N
Reference
CAS: 120042-33-3
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？: 6.053100000000007
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|