Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc(NCCN3CCCC3)c2)CC1- InChIKey
AXTZCLPTPSBTCS-UHFFFAOYSA-N- Molecular formula
- C21H34N4O2
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- 4-[3-(2-Pyrrolidin-1-yl-ethylamino)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2457437AXTZCLPTPSBTCS-UHFFFAOYSA-N4-[3-(2-Pyrrolidin-1-yl-ethylamino)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67415909
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Related reactions
5 records
Compound notes
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