1-(1,2-Diphenylethyl)-4-methylpiperazine
Basic information
- CAS
4945-47-5- Standard SMILES
CN1CCN(C(Cc2ccccc2)c2ccccc2)CC1- InChIKey
NXTSFMFOSFAEGA-UHFFFAOYSA-N- Molecular formula
- C19H24N2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.19394877
Names & identifiers
- Preferred name
- 1-(1,2-Diphenylethyl)-4-methylpiperazine
- IUPAC
- 1-(1,2-diphenylethyl)-4-methylpiperazine
- English name
- BAMIPINE
- Molecular formula
- C19H24N2
- Molecular weight
- 280.41
Names & synonyms
1-(1,2-diphenylethyl)-4-methylpiperazine86360-39-6DTXSID70276891RefChem:222287DTXCID20228062SCHEMBL9366351AKOS005065498DB-097972SoventolBAMIPINETaumidrinPiperamine
Show more names
BAMIPINE USP/EP/BP4-(N-Benzylanilino)-1-methylpiperidineN-benzyl-N-(1-methyl-4-piperidyl)anilineN-Benzyl-1-methyl-N-phenyl-4-piperidinamine4-(N-Benzyl-N-phenylamino)-1-methylpiperidine4-(n-benzyl-n-phenylamino)-1-methyl-piperidin
Database identifiers
- CAS
4945-47-5、86360-39-6- PubChem CID
- 213142
- DTXSID
DTXSID70276891
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 115 ° · 115°
- Boiling point
- 413.12 °C · 413.12°C (rough estimate)
- Density
- 0.9608 · 0.9608 (rough estimate)
- refractive index
- 1.8676 · 1.8676 (estimate)
- pka
- 3.34 · pKa 3.34±0.04 (H2O t undened I=0.30(NaCl)) (Uncertain);8.04±0.11(H2O t undened I=0.30(NaCl)) (Uncertain)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 BHZ28O92 · Y6BHZ28O92
- ATC code
- 4 AA15,R06AX01 · D04AA15,R06AX01
Chemistry & industry
Pharmacology
Metabolite PathwaysBamipine H1-Antihistamine Action
Applications
UsesBamipine is an antihistamine that has anticholinergic properties. It is also a reagent for dopamine D3 receptor ligands based on scaffolds of biogenic amine GPCR (G protein-coupled receptor) ligands.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Bamipine is an aromatic amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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