3-[(2-bromo-4-fluorophenoxy)methyl]piperidine

C12H15BrFNO — CID 24902404

IUPAC3-[(2-bromo-4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H15BrFNO/c13-11-6-10(14)3-4-12(11)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyRICQKZNXLZRCNN-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.97
Rot. Bonds3

About 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine

3-[(2-bromo-4-fluorophenoxy)methyl]piperidine (PubChem CID 24902404) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenoxy)methyl]piperidine
PubChem CID24902404
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-[(2-bromo-4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H15BrFNO/c13-11-6-10(14)3-4-12(11)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyRICQKZNXLZRCNN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
The IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine (CID 24902404) is 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine is Fc1ccc(OCC2CCCNC2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
The InChIKey is RICQKZNXLZRCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-6-10(14)3-4-12(11)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2.
What are the key properties of 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
3-[(2-bromo-4-fluorophenoxy)methyl]piperidine has a molecular weight of 288.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 24902404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).