(1-Carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate
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Basic information
- Standard SMILES
COc1cc(C(=O)OC2CCCN(C(=N)N)C2)cc(OC)c1OC- InChIKey
GYOIHVJYKAKBKE-UHFFFAOYSA-N- Molecular formula
- C16H23N3O5
- Average molar mass
- 337.37 g/mol
- Monoisotopic mass
- 337.16377084
Names & identifiers
- Preferred name
- (1-Carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate
- IUPAC
- (1-carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate
Database identifiers
- PubChem CID
- 53204
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
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Compound notes
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