4-(5-Iodo-isoquinoline-6-yloxy)-piperidin-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc3cnccc3c2I)CC1- InChIKey
JCSWVHCSCWBKPU-UHFFFAOYSA-N- Molecular formula
- C19H23IN2O3
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 454.07534
Names & identifiers
- Preferred name
- 4-(5-Iodo-isoquinoline-6-yloxy)-piperidin-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(5-iodoisoquinolin-6-yl)oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL2505024JCSWVHCSCWBKPU-UHFFFAOYSA-N4-(5-Iodo-isoquinoline-6-yloxy)-piperidin-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57646751
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
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Related reactions
5 records
Compound notes
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