4-[(4-bromophenyl)-fluoromethyl]piperidine

C12H15BrFN — CID 84730148

IUPAC4-[(4-bromophenyl)-fluoromethyl]piperidine
SMILESFC(c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C12H15BrFN/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12,15H,5-8H2
InChIKeyVGLMCLJOQTYEDW-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.46
Rot. Bonds2

About 4-[(4-bromophenyl)-fluoromethyl]piperidine

4-[(4-bromophenyl)-fluoromethyl]piperidine (PubChem CID 84730148) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)-fluoromethyl]piperidine
PubChem CID84730148
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name4-[(4-bromophenyl)-fluoromethyl]piperidine
SMILESFC(c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C12H15BrFN/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12,15H,5-8H2
InChIKeyVGLMCLJOQTYEDW-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(4-bromophenyl)-fluoromethyl]piperidine (CID 84730148) is 4-[(4-bromophenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(4-bromophenyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(4-bromophenyl)-fluoromethyl]piperidine is FC(c1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 4-[(4-bromophenyl)-fluoromethyl]piperidine?
The InChIKey is VGLMCLJOQTYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12,15H,5-8H2.
What are the key properties of 4-[(4-bromophenyl)-fluoromethyl]piperidine?
4-[(4-bromophenyl)-fluoromethyl]piperidine has a molecular weight of 272.16 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 84730148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).