[1-(2-Phenyl-ethenesulfonyl)-piperidin-4-ylmethyl]-carbamic acid benzyl ester
Basic information
- Standard SMILES
O=C(NCC1CCN(S(=O)(=O)C=Cc2ccccc2)CC1)OCc1ccccc1- InChIKey
RJPPAQOMAQSZCZ-UHFFFAOYSA-N- Molecular formula
- C22H26N2O4S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.16132849
Names & identifiers
- Preferred name
- [1-(2-Phenyl-ethenesulfonyl)-piperidin-4-ylmethyl]-carbamic acid benzyl ester
- IUPAC
- benzyl N-[[1-(2-phenylethenylsulfonyl)piperidin-4-yl]methyl]carbamate
Names & synonyms
SCHEMBL5347890RJPPAQOMAQSZCZ-UHFFFAOYSA-N[1-(2-phenyl-ethenesulfonyl)-piperidin-4-ylmethyl]-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 69413281
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
Related reactions
3 records
Compound notes
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