Basic information
- CAS
61087-51-2- Standard SMILES
O=C(O)C1([NH2+]c2ccccc2)CCN(Cc2ccccc2)CC1.[Cl-]- InChIKey
XPWBXWQFCBZDLL-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O2
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.1448057
Names & identifiers
- Preferred name
- 4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)
- IUPAC
- (1-benzyl-4-carboxypiperidin-4-yl)-phenylazanium chloride
Names & synonyms
DTXSID509765844-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)RefChem:1070335DTXCID5014039571-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride4-Anilino-1-benzylisonipecotic acid hydrochlorideEINECS 262-599-7ISONIPECOTIC ACID, 4-ANILINO-1-BENZYL-, HYDROCHLORIDE4-Piperidinecarboxylic acid, 1-benzyl-4-anilino-, hydrochloride
Database identifiers
- CAS
61087-51-2- PubChem CID
- 43543
- EC Number
- 262-599-7
Properties
Computed structural properties
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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