3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine

C12H18FNS — CID 112564792

IUPAC3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine
SMILESCC(F)(Cc1cccs1)C1CCCNC1
InChIInChI=1S/C12H18FNS/c1-12(13,8-11-5-3-7-15-11)10-4-2-6-14-9-10/h3,5,7,10,14H,2,4,6,8-9H2,1H3
InChIKeyYUIRKZHMMKEBCX-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine

3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine (PubChem CID 112564792) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine
PubChem CID112564792
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine
SMILESCC(F)(Cc1cccs1)C1CCCNC1
InChIInChI=1S/C12H18FNS/c1-12(13,8-11-5-3-7-15-11)10-4-2-6-14-9-10/h3,5,7,10,14H,2,4,6,8-9H2,1H3
InChIKeyYUIRKZHMMKEBCX-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.02
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-1-thiophen-2-ylpropan-2-yl)piperidine?
The IUPAC name of 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine (CID 112564792) is 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine is CC(F)(Cc1cccs1)C1CCCNC1.
What is the InChIKey of 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine?
The InChIKey is YUIRKZHMMKEBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-12(13,8-11-5-3-7-15-11)10-4-2-6-14-9-10/h3,5,7,10,14H,2,4,6,8-9H2,1H3.
What are the key properties of 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine?
3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine has a molecular weight of 227.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-1-thiophen-2-ylpropan-2-yl)piperidine is sourced from PubChem (CID 112564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).