Coniine
PubChem CID: 441072
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| Compound Synonyms | (S)-2-Propylpiperidine, 458-88-8, CONIINE, (+)-Coniine, Cicutine, (2S)-2-propylpiperidine, Conicine, Koniin, (S)-(+)-Coniine, (S)-beta-Propylpiperidine, Cicutin, (S)-Coniine, Coniin, CONIINUM, CHEBI:28322, Piperidine, 2-propyl-, (S)-, HSDB 3474, C479P32L2D, Piperidine, 2-propyl-, (2S)-, CONIINUM [HPUS], CONIINE [HSDB], CONIINE [MI], EINECS 207-282-6, BRN 0079906, CONIINE, D/L-(RG), 5-20-04-00205 (Beilstein Handbook Reference), alpha-Conine, D-2-(n-Propyl)piperidine, dConicine, UNII-C479P32L2D, d-Coniine, (S)Coniine, (+)Coniine, (S)2Propylpiperidine, (S)(+)Coniine, (S)betaPropylpiperidine, Piperidine, 2propyl, (S), SCHEMBL335908, CHEMBL2287063, DTXSID8041795, NDNUANOUGZGEPO-QMMMGPOBSA-N, AKOS006239506, DB-310405, NS00066979, C06523, F16887, Q421994, 207-282-6 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | A9XFY4, P02710, Q9Y6L6, Q9NPD5 |
| Iupac Name | (2S)-2-propylpiperidine |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C8H17N |
| Prediction Swissadme | 0.0 |
| Inchi Key | NDNUANOUGZGEPO-QMMMGPOBSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.21 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.918 |
| Compound Name | Coniine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 127.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7316322 |
| Inchi | InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1 |
| Smiles | CCC[C@H]1CCCCN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Sarracenia Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all