3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine

C12H18FNS — CID 112564832

IUPAC3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine
SMILESCc1ccc(C(C)(F)C2CCCNC2)s1
InChIInChI=1S/C12H18FNS/c1-9-5-6-11(15-9)12(2,13)10-4-3-7-14-8-10/h5-6,10,14H,3-4,7-8H2,1-2H3
InChIKeyPUWYVYRXMKPBJZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.24
Rot. Bonds2

About 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine

3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine (PubChem CID 112564832) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine
PubChem CID112564832
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine
SMILESCc1ccc(C(C)(F)C2CCCNC2)s1
InChIInChI=1S/C12H18FNS/c1-9-5-6-11(15-9)12(2,13)10-4-3-7-14-8-10/h5-6,10,14H,3-4,7-8H2,1-2H3
InChIKeyPUWYVYRXMKPBJZ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.24
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
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
N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126036

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine (CID 112564832) is 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine is Cc1ccc(C(C)(F)C2CCCNC2)s1.
What is the InChIKey of 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine?
The InChIKey is PUWYVYRXMKPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-9-5-6-11(15-9)12(2,13)10-4-3-7-14-8-10/h5-6,10,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine?
3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine has a molecular weight of 227.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-(5-methylthiophen-2-yl)ethyl]piperidine is sourced from PubChem (CID 112564832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).