4-(3-bromo-4-fluorophenoxy)piperidine

C11H13BrFNO — CID 83235035

IUPAC4-(3-bromo-4-fluorophenoxy)piperidine
SMILESFc1ccc(OC2CCNCC2)cc1Br
InChIInChI=1S/C11H13BrFNO/c12-10-7-9(1-2-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyFMUPLSSFCFYEIC-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.72
Rot. Bonds2

About 4-(3-bromo-4-fluorophenoxy)piperidine

4-(3-bromo-4-fluorophenoxy)piperidine (PubChem CID 83235035) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)piperidine
PubChem CID83235035
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-(3-bromo-4-fluorophenoxy)piperidine
SMILESFc1ccc(OC2CCNCC2)cc1Br
InChIInChI=1S/C11H13BrFNO/c12-10-7-9(1-2-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyFMUPLSSFCFYEIC-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)piperidine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)piperidine (CID 83235035) is 4-(3-bromo-4-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)piperidine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)piperidine is Fc1ccc(OC2CCNCC2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)piperidine?
The InChIKey is FMUPLSSFCFYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-7-9(1-2-11(10)13)15-8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)piperidine?
4-(3-bromo-4-fluorophenoxy)piperidine has a molecular weight of 274.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)piperidine is sourced from PubChem (CID 83235035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).