Basic information
- Standard SMILES
CCn1nc(OC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1C- InChIKey
MYJZVCLFGJPHMD-UHFFFAOYSA-N- Molecular formula
- C17H29N3O3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.2208918
Names & identifiers
- Preferred name
- 1-tert-Butoxycarbonyl-4-(1-ethyl-3-methoxy-5-methyl-(1H)-pyrazol-4-yl)piperidine
- IUPAC
- tert-butyl 4-(1-ethyl-3-methoxy-5-methylpyrazol-4-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL6105298MYJZVCLFGJPHMD-UHFFFAOYSA-N1-tert-Butoxycarbonyl-4-(1-ethyl-3-methoxy-5-methyl-(1H)-pyrazol-4-yl)piperidine
Database identifiers
- PubChem CID
- 21912765
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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