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

C12H15BrFNO — CID 65203659

IUPAC4-[(4-bromo-3-fluorophenoxy)methyl]piperidine
SMILESFc1cc(OCC2CCNCC2)ccc1Br
InChIInChI=1S/C12H15BrFNO/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyYNVDUVXRDIJEBW-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.97
Rot. Bonds3

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

4-[(4-bromo-3-fluorophenoxy)methyl]piperidine (PubChem CID 65203659) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenoxy)methyl]piperidine
PubChem CID65203659
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-[(4-bromo-3-fluorophenoxy)methyl]piperidine
SMILESFc1cc(OCC2CCNCC2)ccc1Br
InChIInChI=1S/C12H15BrFNO/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyYNVDUVXRDIJEBW-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 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
The IUPAC name of 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine (CID 65203659) is 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine is Fc1cc(OCC2CCNCC2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
The InChIKey is YNVDUVXRDIJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
4-[(4-bromo-3-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 4-[(4-bromo-3-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 65203659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).