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Basic information
- Standard SMILES
COC1CCN(Cc2cc(Cl)c(F)c(CNC(=O)OC(C)(C)C)c2)CC1- InChIKey
MFMZXBDLLSMIKZ-UHFFFAOYSA-N- Molecular formula
- C19H28ClFN2O3
- Average molar mass
- 386.9 g/mol
Names & identifiers
- Preferred name
- [3-Chloro-2-fluoro-5-(4-methoxy-piperidin-1-ylmethyl)-benzyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[3-chloro-2-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL12478950MFMZXBDLLSMIKZ-UHFFFAOYSA-N[3-chloro-2-fluoro-5-(4-methoxy-piperidin-1-ylmethyl)-benzyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68282992
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
2 records
Compound notes
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