Basic information
- Standard SMILES
CN1CCC(Nc2cc(N)ncc2Br)CC1- InChIKey
IEPBUWSAYKIVTJ-UHFFFAOYSA-N- Molecular formula
- C11H17BrN4
- Average molar mass
- 285.18 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-N4-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
- IUPAC
- 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
Names & synonyms
SCHEMBL617963IEPBUWSAYKIVTJ-UHFFFAOYSA-N5-Bromo-N4-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
Database identifiers
- PubChem CID
- 59613548
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
7 records
Compound notes
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