Basic information
- CAS
130820-47-2- Standard SMILES
CN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1.Cl- InChIKey
AQAUOALBGUGYDN-UHFFFAOYSA-N- Molecular formula
- C19H21BrClN
- Average molar mass
- 378.7 g/mol
- Monoisotopic mass
- 377.05459
Names & identifiers
- Preferred name
- Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
- IUPAC
- 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride
Names & synonyms
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride4-(4-Bromobenzhydrylidene)-1-methylpiperidine hydrochloride130820-47-2DTXSID30156761RefChem:373267DTXCID1079252MLS001180187CHEMBL1730113REGID_for_CID_3076342SMR0004759014-[(4-Bromophenyl)(phenyl)methylidene]-1-methylpiperidine--hydrogen chloride (1/1)
Database identifiers
- CAS
130820-47-2- PubChem CID
- 3076342
- DTXSID
DTXSID30156761- ChEMBL
CHEMBL1730113
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility53.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…