Basic information
- Standard SMILES
CC#CC(C)(C)c1ccc(OC)c(CN[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2c2ccccc2)c1- InChIKey
PQZSYFAALFSPGM-BDYUSTAISA-N- Molecular formula
- C30H40N2O3
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-1-tert-Butoxycarbonyl-3-[5-(1,1-dimethyl-2-butynyl)-2-methoxybenzyl]amino-2-phenylpiperidine
- IUPAC
- tert-butyl (2S,3S)-3-[[2-methoxy-5-(2-methylpent-3-yn-2-yl)phenyl]methylamino]-2-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL7583806PQZSYFAALFSPGM-BDYUSTAISA-N(2S,3S)-1-tert-Butoxycarbonyl-3-[5-(1,1-dimethyl-2-butynyl)-2-methoxybenzyl]amino-2-phenylpiperidine
Database identifiers
- PubChem CID
- 70136742
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 753
Related reactions
2 records
Compound notes
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