2-(4-bromo-2-fluoro-3-methylphenyl)piperidine

C12H15BrFN — CID 117432838

IUPAC2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
SMILESCc1c(Br)ccc(C2CCCCN2)c1F
InChIInChI=1S/C12H15BrFN/c1-8-10(13)6-5-9(12(8)14)11-4-2-3-7-15-11/h5-6,11,15H,2-4,7H2,1H3
InChIKeyHBNSRPLPRNERQR-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.71
Rot. Bonds1

About 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine

2-(4-bromo-2-fluoro-3-methylphenyl)piperidine (PubChem CID 117432838) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
PubChem CID117432838
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
SMILESCc1c(Br)ccc(C2CCCCN2)c1F
InChIInChI=1S/C12H15BrFN/c1-8-10(13)6-5-9(12(8)14)11-4-2-3-7-15-11/h5-6,11,15H,2-4,7H2,1H3
InChIKeyHBNSRPLPRNERQR-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(3-bromo-4-fluoro-2-methylphenyl)piperidine
CID 84809680
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328
3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131052061
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
2-(2,4-dibromophenyl)azepane
CID 107938538

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine?
The IUPAC name of 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine (CID 117432838) is 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine.
What is the SMILES notation for 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine?
The canonical SMILES for 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine is Cc1c(Br)ccc(C2CCCCN2)c1F.
What is the InChIKey of 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine?
The InChIKey is HBNSRPLPRNERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-8-10(13)6-5-9(12(8)14)11-4-2-3-7-15-11/h5-6,11,15H,2-4,7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine?
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine has a molecular weight of 272.16 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-3-methylphenyl)piperidine is sourced from PubChem (CID 117432838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).