4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine

C15H15BrFNS — CID 79432309

IUPAC4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine
SMILESFc1cccc(C2CNCCC2c2cc(Br)cs2)c1
InChIInChI=1S/C15H15BrFNS/c16-11-7-15(19-9-11)13-4-5-18-8-14(13)10-2-1-3-12(17)6-10/h1-3,6-7,9,13-14,18H,4-5,8H2
InChIKeySJHVBBGQEGHJOG-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.51
Rot. Bonds2

About 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine

4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine (PubChem CID 79432309) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine
PubChem CID79432309
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine
SMILESFc1cccc(C2CNCCC2c2cc(Br)cs2)c1
InChIInChI=1S/C15H15BrFNS/c16-11-7-15(19-9-11)13-4-5-18-8-14(13)10-2-1-3-12(17)6-10/h1-3,6-7,9,13-14,18H,4-5,8H2
InChIKeySJHVBBGQEGHJOG-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine
CID 79430023
4-(5-chloro-2-fluorophenyl)-3-(3-fluorophenyl)piperidine
CID 114867327
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
CID 79434668
4-(3-bromophenyl)-3-fluoropiperidine
CID 105426889
4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine
CID 79596234
3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
CID 79430909
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
CID 79429992

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine (CID 79432309) is 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine is Fc1cccc(C2CNCCC2c2cc(Br)cs2)c1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine?
The InChIKey is SJHVBBGQEGHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c16-11-7-15(19-9-11)13-4-5-18-8-14(13)10-2-1-3-12(17)6-10/h1-3,6-7,9,13-14,18H,4-5,8H2.
What are the key properties of 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine?
4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine has a molecular weight of 340.26 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-3-(3-fluorophenyl)piperidine is sourced from PubChem (CID 79432309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).