4-[(2-bromo-4-fluorophenyl)methylidene]piperidine

C12H13BrFN — CID 79880609

IUPAC4-[(2-bromo-4-fluorophenyl)methylidene]piperidine
SMILESFc1ccc(C=C2CCNCC2)c(Br)c1
InChIInChI=1S/C12H13BrFN/c13-12-8-11(14)2-1-10(12)7-9-3-5-15-6-4-9/h1-2,7-8,15H,3-6H2
InChIKeyJBVSXWRSMVZBFB-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.36
Rot. Bonds1

About 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine

4-[(2-bromo-4-fluorophenyl)methylidene]piperidine (PubChem CID 79880609) has the molecular formula C12H13BrFN and a molecular weight of 270.14 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methylidene]piperidine
PubChem CID79880609
Molecular FormulaC12H13BrFN
Molecular Weight270.14 g/mol
Exact Mass269.02
IUPAC Name4-[(2-bromo-4-fluorophenyl)methylidene]piperidine
SMILESFc1ccc(C=C2CCNCC2)c(Br)c1
InChIInChI=1S/C12H13BrFN/c13-12-8-11(14)2-1-10(12)7-9-3-5-15-6-4-9/h1-2,7-8,15H,3-6H2
InChIKeyJBVSXWRSMVZBFB-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride
CID 66692482
4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
CID 105376226
3-[(2,5-difluorophenyl)methylidene]pyrrolidine
CID 79879908
2-bromo-1-[(1E)-buta-1,3-dienyl]-4-fluorobenzene
CID 169084870
(4E)-4-[(4-fluorophenyl)methylidene]azepane
CID 134385751
3-(2-bromo-4-fluorophenyl)prop-2-ene-1-thiol
CID 169456209
4-(2-bromo-5-fluorophenyl)piperidine
CID 84709377
4-[(3-chloro-2-fluorophenyl)methylidene]piperidine
CID 102864225
4-(2-bromo-4-fluorophenyl)but-3-enenitrile
CID 170800735
(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine
CID 66524773
(3Z)-3-[(4-fluorophenyl)methylidene]pyrrolidine
CID 122235633
(4Z)-4-[(3,5-difluorophenyl)methylidene]azepane;hydrochloride
CID 126844668

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine (CID 79880609) is 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine is Fc1ccc(C=C2CCNCC2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine?
The InChIKey is JBVSXWRSMVZBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN/c13-12-8-11(14)2-1-10(12)7-9-3-5-15-6-4-9/h1-2,7-8,15H,3-6H2.
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine?
4-[(2-bromo-4-fluorophenyl)methylidene]piperidine has a molecular weight of 270.14 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methylidene]piperidine is sourced from PubChem (CID 79880609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).