4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine

C12H15BrFNO — CID 84814342

IUPAC4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine
SMILESCOc1cc(C2CCNCC2)cc(F)c1Br
InChIInChI=1S/C12H15BrFNO/c1-16-11-7-9(6-10(14)12(11)13)8-2-4-15-5-3-8/h6-8,15H,2-5H2,1H3
InChIKeyIPIVSEWLDCQQNA-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.06
Rot. Bonds2

About 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine

4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine (PubChem CID 84814342) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine
PubChem CID84814342
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine
SMILESCOc1cc(C2CCNCC2)cc(F)c1Br
InChIInChI=1S/C12H15BrFNO/c1-16-11-7-9(6-10(14)12(11)13)8-2-4-15-5-3-8/h6-8,15H,2-5H2,1H3
InChIKeyIPIVSEWLDCQQNA-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine?
The IUPAC name of 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine (CID 84814342) is 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine.
What is the SMILES notation for 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine?
The canonical SMILES for 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine is COc1cc(C2CCNCC2)cc(F)c1Br.
What is the InChIKey of 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine?
The InChIKey is IPIVSEWLDCQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-11-7-9(6-10(14)12(11)13)8-2-4-15-5-3-8/h6-8,15H,2-5H2,1H3.
What are the key properties of 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine?
4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine has a molecular weight of 288.16 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluoro-5-methoxyphenyl)piperidine is sourced from PubChem (CID 84814342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).