1-[1-(4-Bromophenyl)-2-(pyridin-2-yl)ethyl]piperidine-4-carboxylic acid
Basic information
- CAS
5101-75-7- Standard SMILES
O=C(O)C1CCN(C(Cc2ccccn2)c2ccc(Br)cc2)CC1- InChIKey
MRIXFXNPCSKGGI-UHFFFAOYSA-N- Molecular formula
- C19H21BrN2O2
- Average molar mass
- 389.3 g/mol
- Monoisotopic mass
- 388.07864
Names & identifiers
- Preferred name
- 1-[1-(4-Bromophenyl)-2-(pyridin-2-yl)ethyl]piperidine-4-carboxylic acid
- IUPAC
- 1-[1-(4-bromophenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid
Names & synonyms
5101-75-7DTXSID904124311-[1-(4-Bromophenyl)-2-(pyridin-2-yl)ethyl]piperidine-4-carboxylic acid
Database identifiers
- CAS
5101-75-7- PubChem CID
- 5239446
- DTXSID
DTXSID90412431
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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