Basic information
- CAS
4057-52-7- Standard SMILES
Nc1cncc(Br)c1NCCN1CCCCC1- InChIKey
LKGYTHVKEJBXTL-UHFFFAOYSA-N- Molecular formula
- C12H19BrN4
- Average molar mass
- 299.21 g/mol
- Monoisotopic mass
- 298.07931
Names & identifiers
- Preferred name
- Piperidine, 1-(2-((3-amino-5-bromo-4-pyridyl)amino)ethyl)-
- IUPAC
- 5-bromo-4-N-(2-piperidin-1-ylethyl)pyridine-3,4-diamine
Names & synonyms
BRN 0482281Piperidine, 1-(2-((3-amino-5-bromo-4-pyridyl)amino)ethyl)-4057-52-73-Amino-5-bromo-4-(beta-piperidylethylamino)pyridine1-(2-((3-Amino-5-bromo-4-pyridyl)amino)ethyl)piperidineDTXSID60193583RefChem:372921DTXCID001160745-Bromo-N~4~-[2-(piperidin-1-yl)ethyl]pyridine-3,4-diamine
Database identifiers
- CAS
4057-52-7- PubChem CID
- 199346
- DTXSID
DTXSID60193583
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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