4-[Methyl-(1-pyrrolidin-3-yl-cyclopropyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CN(C1CCN(C(=O)OC(C)(C)C)CC1)C1(C2CCNC2)CC1- InChIKey
IGFAVUFQUWEVGQ-UHFFFAOYSA-N- Molecular formula
- C18H33N3O2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.2572773
Names & identifiers
- Preferred name
- 4-[Methyl-(1-pyrrolidin-3-yl-cyclopropyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[methyl-(1-pyrrolidin-3-ylcyclopropyl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4047915IGFAVUFQUWEVGQ-UHFFFAOYSA-N4-[methyl-(1-pyrrolidin-3-yl-cyclopropyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68892124
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Related reactions
3 records
Compound notes
Loading…