4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine

C15H14Br2FNS — CID 102845494

IUPAC4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine
SMILESFc1ccccc1C1CNCCC1c1cc(Br)c(Br)s1
InChIInChI=1S/C15H14Br2FNS/c16-12-7-14(20-15(12)17)10-5-6-19-8-11(10)9-3-1-2-4-13(9)18/h1-4,7,10-11,19H,5-6,8H2
InChIKeyIGFLXIHHJCXTRB-UHFFFAOYSA-N
MW419.16 g/mol
LogP5.27
Rot. Bonds2

About 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine

4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine (PubChem CID 102845494) has the molecular formula C15H14Br2FNS and a molecular weight of 419.16 g/mol. Its IUPAC name is 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine
PubChem CID102845494
Molecular FormulaC15H14Br2FNS
Molecular Weight419.16 g/mol
Exact Mass416.92
IUPAC Name4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine
SMILESFc1ccccc1C1CNCCC1c1cc(Br)c(Br)s1
InChIInChI=1S/C15H14Br2FNS/c16-12-7-14(20-15(12)17)10-5-6-19-8-11(10)9-3-1-2-4-13(9)18/h1-4,7,10-11,19H,5-6,8H2
InChIKeyIGFLXIHHJCXTRB-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.16
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
CID 79440006
4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine
CID 106819231
4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine
CID 79596341
3-(2-fluorophenyl)-4-propan-2-ylpiperidine
CID 79455121
4-(4-bromo-5-chlorothiophen-2-yl)-3-(4-bromophenyl)piperidine
CID 102845481
4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
CID 115381544
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
CID 79455204
3-benzyl-4-(4-bromo-5-methylthiophen-2-yl)piperidine
CID 102845451
4-(2-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128272
3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine
CID 79455056
4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine
CID 79432309

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine?
The IUPAC name of 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine (CID 102845494) is 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine.
What is the SMILES notation for 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine?
The canonical SMILES for 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine is Fc1ccccc1C1CNCCC1c1cc(Br)c(Br)s1.
What is the InChIKey of 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine?
The InChIKey is IGFLXIHHJCXTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNS/c16-12-7-14(20-15(12)17)10-5-6-19-8-11(10)9-3-1-2-4-13(9)18/h1-4,7,10-11,19H,5-6,8H2.
What are the key properties of 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine?
4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine has a molecular weight of 419.16 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine is sourced from PubChem (CID 102845494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).