1-Ethylpiperidine
PubChem CID: 13007
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| Compound Synonyms | 1-Ethylpiperidine, N-ETHYLPIPERIDINE, 766-09-6, Piperidine, 1-ethyl-, N-Aethylpiperidin, N-Ethyl piperidine, 1-ethyl piperidine, 1-ethyl-piperidine, NSC 2090, 1-Ethylpiperidene, EINECS 212-161-6, UNII-7IE43L0926, CHEBI:39017, AI3-22780, NSC-2090, DTXSID1061102, EC 212-161-6, 7IE43L0926, UN 2386, ethylpiperidine, N-Aethylpiperidin [German], UN2386, 138222-44-3, ethyl piperidine, EPHP cpd, MFCD00006507, 1-Ethylpiperidine, 99%, SCHEMBL944, WLN: T6NTJ A2, 966-09-6, CHEMBL25053, SCHEMBL2703210, DTXCID5047900, NSC2090, AKOS015838625, LS-13358, DB-056095, A9707, E0166, NS00005670, 1-Ethylpiperidine [UN2386] [Flammable liquid], A807350, Q22829159 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | CCNCCCCC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.4 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethylpiperidine |
| Class | Piperidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H15N |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | HTLZVHNRZJPSMI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | N-Aethylpiperidin, EPHP CPD, 1-Ethylpiperidine hypophosphite, ethyl-piperidine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C |
| Compound Name | 1-Ethylpiperidine |
| Kingdom | Organic compounds |
| Exact Mass | 113.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 113.2 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3 |
| Smiles | CCN1CCCCC1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Piperidines |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279