4-(2-bromo-5-fluorophenyl)piperidine

C11H13BrFN — CID 84709377

IUPAC4-(2-bromo-5-fluorophenyl)piperidine
SMILESFc1ccc(Br)c(C2CCNCC2)c1
InChIInChI=1S/C11H13BrFN/c12-11-2-1-9(13)7-10(11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyRNBITKFDPRBWEE-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.06
Rot. Bonds1

About 4-(2-bromo-5-fluorophenyl)piperidine

4-(2-bromo-5-fluorophenyl)piperidine (PubChem CID 84709377) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenyl)piperidine
PubChem CID84709377
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name4-(2-bromo-5-fluorophenyl)piperidine
SMILESFc1ccc(Br)c(C2CCNCC2)c1
InChIInChI=1S/C11H13BrFN/c12-11-2-1-9(13)7-10(11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyRNBITKFDPRBWEE-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenyl)piperidine?
The IUPAC name of 4-(2-bromo-5-fluorophenyl)piperidine (CID 84709377) is 4-(2-bromo-5-fluorophenyl)piperidine.
What is the SMILES notation for 4-(2-bromo-5-fluorophenyl)piperidine?
The canonical SMILES for 4-(2-bromo-5-fluorophenyl)piperidine is Fc1ccc(Br)c(C2CCNCC2)c1.
What is the InChIKey of 4-(2-bromo-5-fluorophenyl)piperidine?
The InChIKey is RNBITKFDPRBWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-11-2-1-9(13)7-10(11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2.
What are the key properties of 4-(2-bromo-5-fluorophenyl)piperidine?
4-(2-bromo-5-fluorophenyl)piperidine has a molecular weight of 258.13 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorophenyl)piperidine is sourced from PubChem (CID 84709377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).