2-Propylpiperidine
PubChem CID: 9985
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| Compound Synonyms | 2-Propylpiperidine, 3238-60-6, 2-N-propylpiperidine, CONIINE, dl-Coniine, (+/-)-Coniine, 2-Propyl-piperidine, d-Conicine, Cicutin, Coniin, MFCD00056022, 10388-95-1, DTXSID3046821, 04R53ZF48T, NCGC00181040-01, alpha-Conine, DTXCID1026821, piperidine, 2-propyl-, CAS-3238-60-6, (+-)-Coniine, (1)-2-Propylpiperidine, Conicin, UNII-04R53ZF48T, EINECS 221-801-3, CONIINE, DL-, piperidine, 2-n-propyl-, SCHEMBL96923, MLS004712093, CHEMBL21867, CONIINE, (+/-)-, CHEBI:229941, Piperidine, 2-propyl-, (+-)-, ALBB-011873, BCP24768, BCP30484, Tox21_112688, BBL022356, STK693929, ( inverted exclamation markA)-Coniine, (+/-)-Coniine, >=98%, liquid, AKOS001476535, Tox21_112688_1, HY-121229A, SB42981, NCGC00181040-02, MS-20416, SMR001562138, 1ST158026, DB-006213, PIPERIDINE, 2-PROPYL-, (+/-)-, CS-0128773, NS00008611, EN300-124811, F16896, Q27247670, F8881-6048, Cicutin, Cicutine, Conicine, (S)-2-Propylpiperidine, (S)-beta-Propylpiperidine |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Description | Alkaloid of Amorphophalus rivieri (devil's tongue). (S)-2-Propylpiperidine is found in pomegranate and black elderberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propylpiperidine |
| Nih Violation | False |
| Xlogp | 2.0 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C8H17N |
| Inchi Key | NDNUANOUGZGEPO-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | (+)-Coniine, (2S)-2-propylpiperidine, (s)-(+)-conIIne, (S)-2-Propylpiperidine, (s)-beta-propylpiperidine, &alpha, -conine, 2-Propylpiperidine, alpha-Conine, Cicutin, Cicutine, ConIIn, ConIIne, Conine, D-conicine, 2-Propyl-piperidine, (2S)-2-Propylpiperidine, (S)-(+)-ConIIne, (S)-beta-Propylpiperidine, D-Conicine, Conicine, Coniine hydrochloride, (+-)-isomer, Coniine hydrochloride, (S)-isomer, Coniine, (+-)-isomer, Koniin, Coniine hydrobromide, (S)-isomer, Coniine, (S)-isomer |
| Substituent Name | Alkaloid or derivatives, Coniine, Piperidine, Azacycle, Organoheterocyclic compound, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Organonitrogen compound, Amine, Aliphatic heteromonocyclic compound |
| Compound Name | 2-Propylpiperidine |
| Kingdom | Organic compounds |
| Exact Mass | 127.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3 |
| Smiles | CCCC1CCCCN1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alkaloids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all