2-(1-Propenyl)-delta1-piperideine
PubChem CID: 56972723
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| Compound Synonyms | 2-(1-Propenyl)-delta1-piperideine, 6-[(1Z)-prop-1-en-1-yl]-2,3,4,5-tetrahydropyridine, 2-(1-Propenyl)-D1-piperideine, DTXSID10719772, CHEBI:192718, 16543-92-3, 6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydropyridine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C/C=CC=NCCCC6 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyridines and derivatives |
| Description | Isolated from pomegranate (leaves). 2-(1-Propenyl)-delta1-piperideine is found in fruits. |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Hydropyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydropyridine |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Hydropyridines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H13N |
| Scaffold Graph Node Bond Level | C1=NCCCC1 |
| Inchi Key | SOEACRLLVZHBKW-DJWKRKHSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2-(1-Propenyl)-D1-piperideine, 2-(1-Propenyl)-δ1-piperideine, 2-(l-propenyl)-delta-piperidine-[2,3,4,5-tetrahydro-6-(1-propenyl)]-pyridine, [2,3,4,5-tetrahydro-6(1-propenyl)]-pyridine |
| Substituent Name | Tetrahydropyridine, Ketimine, Azacycle, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Hydrocarbon derivative, Organonitrogen compound, Imine, Aliphatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC(C)=NC |
| Compound Name | 2-(1-Propenyl)-delta1-piperideine |
| Kingdom | Organic compounds |
| Exact Mass | 123.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 123.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 123.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2- |
| Smiles | C/C=C\C1=NCCCC1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tetrahydropyridines |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Reference:ISBN:9788171360536 - 2. Outgoing r'ship
FOUND_INto/from Woodfordia Fruticosa (Plant) Rel Props:Reference:ISBN:9788171360536