3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine

C12H17BrFNS — CID 112564880

IUPAC3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1ccc(Br)s1)C1CCCNC1
InChIInChI=1S/C12H17BrFNS/c1-12(14,9-3-2-6-15-8-9)7-10-4-5-11(13)16-10/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyUUUDBANCNNJLCP-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.78
Rot. Bonds3

About 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine

3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine (PubChem CID 112564880) has the molecular formula C12H17BrFNS and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
PubChem CID112564880
Molecular FormulaC12H17BrFNS
Molecular Weight306.24 g/mol
Exact Mass305.02
IUPAC Name3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1ccc(Br)s1)C1CCCNC1
InChIInChI=1S/C12H17BrFNS/c1-12(14,9-3-2-6-15-8-9)7-10-4-5-11(13)16-10/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyUUUDBANCNNJLCP-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
2-(2-fluoro-2-piperidin-3-ylpropyl)pyridine
CID 112564766
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
CID 112564988
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 102622006
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine (CID 112564880) is 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine is CC(F)(Cc1ccc(Br)s1)C1CCCNC1.
What is the InChIKey of 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is UUUDBANCNNJLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNS/c1-12(14,9-3-2-6-15-8-9)7-10-4-5-11(13)16-10/h4-5,9,15H,2-3,6-8H2,1H3.
What are the key properties of 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 306.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 112564880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).