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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccccc2N2CCN(C(=O)OCc3ccccc3)CC2)CC1- InChIKey
OLFLMRNRDZQLNL-UHFFFAOYSA-N- Molecular formula
- C28H37N3O5
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.27332129
Names & identifiers
- Preferred name
- 4-[2-(1-tert-Butoxycarbonyl-piperidin-4-yloxy)-phenyl]-piperazine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL5365975OLFLMRNRDZQLNL-UHFFFAOYSA-NN-Cbz-4-[2-(N-boc-piperidin-4-yloxy)-phenyl]-piperazine4-[2-(1-tert-Butoxycarbonyl-piperidin-4-yloxy)-phenyl]-piperazine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 18436786
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 704
Related reactions
3 records
Compound notes
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