Structure Info
- Chemspace ID
- CSMB00025788962 (Enamine MADE)
- CAS
- 2138188-86-8
- MFCD
- MFCD30734496
- IUPAC Name
- 1-tert-butyl 4-chloromethyl 4-(phenylamino)piperidine-1,4-dicarboxylate
- Mol formula
- C18H25ClN2O4
- Mol weight
- 369 Da
- Catalog Number(s)
- BBV-118326360, CSC025788962, EN300-386452
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.84
- Heavy atoms count
- 25
- Rotatable bond count
- 7
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025788962
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