Structure Info
- Chemspace ID
- CSMB00025789365 (Enamine MADE)
- CAS
- 2137994-30-8
- MFCD
- MFCD30735266
- IUPAC Name
- 1-tert-butyl 3-chloromethyl 5-(4-methylpiperazin-1-yl)piperidine-1,3-dicarboxylate
- Mol formula
- C17H30ClN3O4
- Mol weight
- 376 Da
- Catalog Number(s)
- BBV-118326963, CSC025789365, EN300-387231
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.56
- Heavy atoms count
- 25
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.882
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789365
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