3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine

C13H20FNS — CID 112564863

IUPAC3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine
SMILESCC(F)(CCc1cccs1)C1CCCNC1
InChIInChI=1S/C13H20FNS/c1-13(14,11-4-2-8-15-10-11)7-6-12-5-3-9-16-12/h3,5,9,11,15H,2,4,6-8,10H2,1H3
InChIKeyADPMJBBYJUVVJL-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.41
Rot. Bonds4

About 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine

3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine (PubChem CID 112564863) has the molecular formula C13H20FNS and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine
PubChem CID112564863
Molecular FormulaC13H20FNS
Molecular Weight241.37 g/mol
Exact Mass241.13
IUPAC Name3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine
SMILESCC(F)(CCc1cccs1)C1CCCNC1
InChIInChI=1S/C13H20FNS/c1-13(14,11-4-2-8-15-10-11)7-6-12-5-3-9-16-12/h3,5,9,11,15H,2,4,6-8,10H2,1H3
InChIKeyADPMJBBYJUVVJL-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561207
(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561208
(1S,5S)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561209
4-(2-Thienyl)piperidine
CID 19095574
4-(3-Thienyl)piperidine
CID 19847314
8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
(cis)-2-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561131
(trans)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561210
(cis)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561211
1-(5-(Trifluoromethyl)thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561251
(1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561256
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine?
The IUPAC name of 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine (CID 112564863) is 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine is CC(F)(CCc1cccs1)C1CCCNC1.
What is the InChIKey of 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine?
The InChIKey is ADPMJBBYJUVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-13(14,11-4-2-8-15-10-11)7-6-12-5-3-9-16-12/h3,5,9,11,15H,2,4,6-8,10H2,1H3.
What are the key properties of 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine?
3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine has a molecular weight of 241.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-thiophen-2-ylbutan-2-yl)piperidine is sourced from PubChem (CID 112564863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).