2-Propylpiperidine; (±)-form
AlkaPlorer ID: AK311274
Synonym: None
IUPAC Name: 2-propylpiperidin-1-ium
Structure
SMILES: CCCC1CCCC[NH2+]1
InChI: InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/p+1
InChIKey: NDNUANOUGZGEPO-UHFFFAOYSA-O
Reference
Hemlock Alkaloids in Aloes. Occurrence and Distribution of γ-Coniceine
PubChem CID: 21583848
CAS: 458-88-8
LOTUS: LTS0001857
NPASS: NPC51959
COCONUT: CNP0295617.2
Source
Properties Information
Molecule Weight: 128.239
TPSA？: 16.61
MolLogP？: 0.9024
Number of H-Donors: 1
Number of H-Acceptors: 0
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor | Enhancement | 13.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Inhibition | 91.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 97000.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 980000.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | nan | nM | 10.1021/jm00147a021 |
| None | Unchecked | Ac50 | 8.913 | uM | None |
| None | Unchecked | Ac50 | 11.22 | uM | None |
| None | Unchecked | Ac50 | 39.81 | uM | None |
| None | Unchecked | AC50 | 8912.5 | nM | None |
| None | Unchecked | AC50 | 11220.2 | nM | None |
| None | Unchecked | AC50 | 39810.7 | nM | None |