3-[(3-Bromophenoxy)methyl]piperidine
Basic information
- CAS
946787-27-5- Standard SMILES
Brc1cccc(OCC2CCCNC2)c1- InChIKey
BDBVYJWDKIYXOT-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
- Monoisotopic mass
- 269.04153
Names & identifiers
- Preferred name
- 3-[(3-Bromophenoxy)methyl]piperidine
- IUPAC
- 3-[(3-bromophenoxy)methyl]piperidine
Names & synonyms
3-[(3-Bromophenoxy)methyl]piperidineDTXSID801291470AKOS005263849946787-27-5
Database identifiers
- CAS
946787-27-5- PubChem CID
- 45075322
- DTXSID
DTXSID801291470
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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