4-(3-Methylphenyl)piperazine-1-carboximidic acid
Basic information
- CAS
85474-80-2- Standard SMILES
Cc1cccc(N2CCN(C(N)=O)CC2)c1- InChIKey
FNHQGHHQQAKSQM-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716217
Names & identifiers
- Preferred name
- 4-(3-Methylphenyl)piperazine-1-carboximidic acid
- IUPAC
- 4-(3-methylphenyl)piperazine-1-carboxamide
Names & synonyms
85474-80-2NSC87107NCIOpen2_0052174-(3-Methylphenyl)piperazine-1-carboximidic acidSCHEMBL10501035DTXSID301006030NSC-87107AKOS000149016
Database identifiers
- CAS
85474-80-2- PubChem CID
- 258308
- DTXSID
DTXSID301006030
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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