Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(N2CCN(c3ccc(C4CCCCC4)cc3)CC2)CC1- InChIKey
YHSWZWDGCASPCP-UHFFFAOYSA-N- Molecular formula
- C26H41N3O2
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.31987756
Names & identifiers
- Preferred name
- 1-Tert-butoxycarbonyl-4-[4-(4-cyclohexylphenyl)piperazin-1-yl]piperidine
- IUPAC
- tert-butyl 4-[4-(4-cyclohexylphenyl)piperazin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL7318222YHSWZWDGCASPCP-UHFFFAOYSA-N1-tert-butoxycarbonyl-4-[4-(4-cyclohexylphenyl)piperazin-1-yl]piperidine
Database identifiers
- PubChem CID
- 21997530
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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