Basic information
- CAS
114-28-3- Standard SMILES
C[N+]1(C)CCN(c2ccccc2)CC1- InChIKey
MKGIQRNAGSSHRV-UHFFFAOYSA-N- Molecular formula
- C12H19N2+
- Average molar mass
- 191.29 g/mol
- Monoisotopic mass
- 191.15427503
Overview
1,1-dimethyl-4-phenylpiperazin-1-ium is a member of piperazines.
Names & identifiers
- Preferred name
- Dimethylphenylpiperazinium
- IUPAC
- 1,1-dimethyl-4-phenylpiperazin-1-ium
- English name
- 1,1-dimethyl-4-phenyl-2,3,5,6-tetrahydropyrazine
- Molecular formula
- C12H19N2+
- Molecular weight
- 0
Names & synonyms
Dimethylphenylpiperazinium1,1-Dimethyl-4-phenylpiperaziniumUNII-2FLS86GK2A2FLS86GK2APiperazinium, 1,1-dimethyl-4-phenyl-DTXSID10150626N,N-DIMETHYL-N'-PHENYLPIPERAZINIUMPIPERAZINIUM, 1,1-DIMETHYL-4-PHENYL1,1-DIMETHYL-4-PHENYLPIPERAZINIUM IONRefChem:134371DTXCID5073117114-28-3
Show more names
1,1-dimethyl-4-phenyl-2,3,5,6-tetrahydropyrazine
CHEMBL134752Lopac-D-5891cid_5911Lopac0_000400GTPL3967SCHEMBL3453554CHEBI:1249851,1-Dimethyl-4-phenyl-piperazinium
Database identifiers
- CAS
114-28-3- PubChem CID
- 1316
- DTXSID
DTXSID10150626- ChEMBL
CHEMBL134752- ChEBI
CHEBI:124985- UNII
- 2FLS86GK2A
- Nikkaji
- J231.700A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 173
Physicochemical properties
- FDA UNII
- 2 FLS86GK2A · 2FLS86GK2A
Chemistry & industry
Additional notes
DefinitionChEBI: 1,1-dimethyl-4-phenylpiperazin-1-ium is a member of piperazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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