Basic information
- CAS
651307-89-0- Standard SMILES
Brc1cncc2cccc(NC3CCNCC3)c12.Cl- InChIKey
IKFUQICAWUWNPV-UHFFFAOYSA-N- Molecular formula
- C14H17BrClN3
- Average molar mass
- 342.66 g/mol
- Monoisotopic mass
- 341.02943732
Names & identifiers
- Preferred name
- 4-(4-Bromo-5-isoquinolyl)aminopiperidine hydrochloride
- IUPAC
- 4-bromo-N-piperidin-4-ylisoquinolin-5-amine;hydrochloride
Names & synonyms
651307-89-04-(4-bromo-5-isoquinolyl)aminopiperidine hydrochlorideSCHEMBL5663943DTXSID60621093IKFUQICAWUWNPV-UHFFFAOYSA-N4-Bromo-N-(piperidin-4-yl)isoquinolin-5-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
651307-89-0- PubChem CID
- 21979908
- DTXSID
DTXSID60621093
Properties
Computed structural properties
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Related reactions
1 records
Compound notes
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