4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine

C12H15BrFNO — CID 166094238

IUPAC4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine
SMILESCN1CCC(Oc2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO/c1-15-6-4-10(5-7-15)16-12-3-2-9(13)8-11(12)14/h2-3,8,10H,4-7H2,1H3
InChIKeyDLHUFCGSWUJDKP-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.06
Rot. Bonds2

About 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine

4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine (PubChem CID 166094238) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine
PubChem CID166094238
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine
SMILESCN1CCC(Oc2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO/c1-15-6-4-10(5-7-15)16-12-3-2-9(13)8-11(12)14/h2-3,8,10H,4-7H2,1H3
InChIKeyDLHUFCGSWUJDKP-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine 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-(4-bromo-2-fluorophenoxy)-1-methylpiperidine?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine (CID 166094238) is 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine is CN1CCC(Oc2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine?
The InChIKey is DLHUFCGSWUJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-15-6-4-10(5-7-15)16-12-3-2-9(13)8-11(12)14/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine?
4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine has a molecular weight of 288.16 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-1-methylpiperidine is sourced from PubChem (CID 166094238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).