Basic information
- Standard SMILES
COC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C- InChIKey
PECKJJLXPJQABJ-GXTWGEPZSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
Names & identifiers
- Preferred name
- Methyl ((3S,4S)-1-benzyl-4-methylpiperidin-3-yl)carbamate
- IUPAC
- methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate
Names & synonyms
1820579-71-2Methyl ((3S,4S)-1-benzyl-4-methylpiperidin-3-yl)carbamateCis-(1-Benzyl-4-methyl-piperidin-3-yl)-carbamic Acid Methyl Estermethyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamateTofacitinib Impurity 246SCHEMBL6078330PECKJJLXPJQABJ-GXTWGEPZSA-NDB-351157Methyl((3S,4S)-1-benzyl-4-methylpiperidin-3-yl)carbamateracemic cis (1-benzyl-4-methyl-piperidin-3-yl)-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 56832346
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
4 records
Linked notes
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