Basic information
- Standard SMILES
CN1CCN(Cc2cc(C=CC(=O)O)cnc2N)CC1- InChIKey
SMEIUYGTGBEGAG-UHFFFAOYSA-N- Molecular formula
- C14H20N4O2
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.15862589
Names & identifiers
- Preferred name
- 3-[6-Amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]prop-2-enoic acid
- IUPAC
- 3-[6-amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 66967161
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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