1-Benzyl-4-tert-butylpiperidine
Basic information
- CAS
7576-09-2- Standard SMILES
CC(C)(C)C1CCN(Cc2ccccc2)CC1- InChIKey
JCOVUSCGLXPGCX-UHFFFAOYSA-N- Molecular formula
- C16H25N
- Average molar mass
- 231.38 g/mol
- Monoisotopic mass
- 231.1986998
Names & identifiers
- Preferred name
- 1-Benzyl-4-tert-butylpiperidine
- IUPAC
- 1-benzyl-4-tert-butylpiperidine
Names & synonyms
1-benzyl-4-tert-butylpiperidine7576-09-2DTXSID90320704RefChem:228096DTXCID10271825Piperidine,4-(1,1-dimethylethyl)-1-(phenylmethyl)-NSC363745SCHEMBL10236431NSC-363745DS-012254EN300-262535
Database identifiers
- CAS
7576-09-2- PubChem CID
- 338918
- DTXSID
DTXSID90320704- Nikkaji
- J3.417.682E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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