Structure Info
- Chemspace ID
- CSMB00103070409 (Enamine MADE)
- CAS
- 2228532-81-6
- IUPAC Name
- tert-butyl 2-(3-ethynylphenyl)piperazine-1-carboxylate
- Mol formula
- C17H22N2O2
- Mol weight
- 286 Da
- Catalog Number(s)
- BBV-137268737, CSC103070409, EN300-1900281, IMED3271520947, a6_21439_1809
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.49
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.47
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00103070409
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