4-(2-bromo-4-fluorophenoxy)piperidine

C11H13BrFNO — CID 24902399

IUPAC4-(2-bromo-4-fluorophenoxy)piperidine
SMILESFc1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyPNRXVTVLQJODIK-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.72
Rot. Bonds2

About 4-(2-bromo-4-fluorophenoxy)piperidine

4-(2-bromo-4-fluorophenoxy)piperidine (PubChem CID 24902399) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)piperidine
PubChem CID24902399
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-(2-bromo-4-fluorophenoxy)piperidine
SMILESFc1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyPNRXVTVLQJODIK-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

Analyze 4-(2-bromo-4-fluorophenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)piperidine?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)piperidine (CID 24902399) is 4-(2-bromo-4-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)piperidine?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)piperidine is Fc1ccc(OC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)piperidine?
The InChIKey is PNRXVTVLQJODIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)piperidine?
4-(2-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-(2-bromo-4-fluorophenoxy)piperidine is sourced from PubChem (CID 24902399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).