Triprolidine
PubChem CID: 5282443
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| Compound Synonyms | triprolidine, 486-12-4, Actidil, Triprolidin, Tripolidina, Triprolidinum, Myidyl, Histafed, HSDB 6316, Tripolidina [INN-Spanish], Triprolidinum [INN-Latin], Triprolidina, Actifed, CCRIS 7212, trans-1-(2-Pyridyl)-3-pyrrolidino-1-p-tolylprop-1-ene, NCI-C61450, 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine, trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene, EINECS 207-627-0, UNII-2L8T9S52QM, trans-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine, ACTAHIST, ALLERFED, CORPHED, MYFED, TRILITRON, TRIPHED, Triprolidine (INN), 2L8T9S52QM, DTXSID3023718, CHEBI:84116, CHEMBL855, (E)-2-(1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)pyridine, Tripyrolidine, DTXCID203718, Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, (E)-, NCGC00024714-03, (E)-2-(3-(Pyrrolidin-1-yl)-1-(p-tolyl)prop-1-en-1-yl)pyridine, TRIPROLIDINE [INN], 2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine, Tripolidina (INN-Spanish), Triprolidinum (INN-Latin), Triprolidine [INN:BAN], (E)-2-[3-(1-Pyrrolidinyl)-1-p-toluenepropenyl]pyridine, CAS-486-12-4, (E)-2-(3-(1-pyrrolidinyl)-1-p-toluenepropenyl)pyridine, 2-((1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl)pyridine, Trans-2-, Prestwick2_000262, Prestwick3_000262, Spectrum5_001467, TRIPROLIDINE [MI], TRIPROLIDINE [HSDB], SCHEMBL4905, TRIPROLIDINE [VANDF], Lopac0_001130, BSPBio_000104, BSPBio_002255, (E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)pyridine, BIDD:GT0569, TRIPROLIDINE [WHO-DD], BPBio1_000116, GTPL1228, R06AX07, HMS2089M21, 10191-42-1, HY-B1808, Tox21_110919, BDBM50292411, CCG-12422, AKOS027460758, Tox21_110919_1, DB00427, SDCCGSBI-0025383.P005, IDI1_000297, NCGC00024714-02, NCGC00024714-04, NCGC00024714-05, NCGC00024714-06, NCGC00024714-07, NCGC00024714-08, NCGC00024714-11, NCGC00024714-15, AS-87247, DA-78634, BIM-0025383.P001, SBI-0025383.P004, CS-0013854, NS00008343, D08648, EN300-755286, AB00053563-02, AB00053563-13, AB00053563_14, L000901, Q417654, 2-(3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridine, BRD-K11742128-003-05-1, BRD-K11742128-003-15-0, BRD-K11742128-003-22-6, BRD-K11742128-003-23-4, 1-((E)-3-Pyridin-2-yl-3-p-tolyl-allyl)-pyrrolidinium, 2-((E)-3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridine, 2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)pyridine, Pyridine, 2-3-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, (E)-, 207-627-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 16.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C(CCC2CCCC2)C2CCCCC2)CC1 |
| Deep Smiles | Ccccccc6))/C=CCNCCCC5)))))))/cccccn6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C(CCN2CCCC2)C2CCCCN2)CC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10635, P35367 |
| Iupac Name | 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.9 |
| Superclass | Benzenoids |
| Subclass | Styrenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H22N2 |
| Scaffold Graph Node Bond Level | C(CN1CCCC1)=C(c1ccccc1)c1ccccn1 |
| Inchi Key | CBEQULMOCCWAQT-WOJGMQOQSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (e)-2-[3-(1-Pyrrolidinyl)-1-p-toluenepropenyl]pyridine, trans-1-(2-Pyridyl)-3-pyrrolidino-1-p-tolylprop-1-ene, trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene, trans-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine, Tripolidina, Triprolidinum, Hydrochloride anhydrous, triprolidine, Triprolidine hydrochloride anhydrous, Hydrochloride, triprolidine, Triprolidine monohydrochloride, Triprolidine monohydrochloride, monohydrate, Triprolidine oxalate, (trans)-isomer, Triprolidine hydrochloride, Triprolidine monohydrochloride, (Z)-isomer, Actidil, Anhydrous, triprolidine hydrochloride, Pro actidil, Triprolidine oxalate, Triprolidine, (Z)-isomer, Wellcome brand OF triprolidine, 3-(but-cis-1-enyl)-pyridine, 3-(but-trans-1-enyl)-pyridine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, c/C(c)=CC, cnc |
| Compound Name | Triprolidine |
| Kingdom | Organic compounds |
| Exact Mass | 278.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 278.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ |
| Smiles | CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Styrenes |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279