Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccc3[nH]ccc3c2)CC1- InChIKey
TWKSJGFUZKOWLS-UHFFFAOYSA-N- Molecular formula
- C18H25N3O2
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- 5-[4-(Tert-butoxycarbonyl)piperazin-1-ylmethyl]indole
- IUPAC
- tert-butyl 4-(1H-indol-5-ylmethyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL3041483TWKSJGFUZKOWLS-UHFFFAOYSA-N5-[4-(tert-butoxycarbonyl)piperazin-1-ylmethyl]indole
Database identifiers
- PubChem CID
- 68489934
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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