1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic Acid
Basic information
- CAS
5108-56-5- Standard SMILES
CCOc1cccc(C(c2cccc(Br)c2)N2CCC(C(=O)O)CC2)c1- InChIKey
RADREVMAJGXEER-UHFFFAOYSA-N- Molecular formula
- C21H24BrNO3
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.09396
Names & identifiers
- Preferred name
- 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic Acid
- IUPAC
- 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
Names & synonyms
5108-56-51-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic AcidDTXSID004115511-[(3-BROMOPHENYL)(3-ETHOXYPHENYL)METHYL]PIPERIDINE-4-CARBOXYLIC ACID
Database identifiers
- CAS
5108-56-5- PubChem CID
- 5227787
- DTXSID
DTXSID00411551
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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