Basic information
- Standard SMILES
COc1ccc(C2(C#N)CCOCC2)cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1- InChIKey
HOLLKMTUDRVREC-BDYUSTAISA-N- Molecular formula
- C30H39N3O4
- Average molar mass
- 505.6 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-1-tert-Butoxycarbonyl-3-(5-(1-cyano-4-oxa-cyclohexyl)-2-methoxybenzyl)amino-2-phenylpiperidine
- IUPAC
- tert-butyl (2S,3S)-3-[[5-(4-cyanooxan-4-yl)-2-methoxyphenyl]methylamino]-2-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL7587192HOLLKMTUDRVREC-BDYUSTAISA-N(2S,3S)-1-tert-Butoxycarbonyl-3-(5-(1-cyano-4-oxa-cyclohexyl)-2-methoxybenzyl)amino-2-phenylpiperidine
Database identifiers
- PubChem CID
- 56987765
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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