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

C11H16FNS — CID 112565362

IUPAC3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(C(F)C2CCCNC2)s1
InChIInChI=1S/C11H16FNS/c1-8-4-5-10(14-8)11(12)9-3-2-6-13-7-9/h4-5,9,11,13H,2-3,6-7H2,1H3
InChIKeyNOUXRZPWSDLDIK-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.07
Rot. Bonds2

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

3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 112565362) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID112565362
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(C(F)C2CCCNC2)s1
InChIInChI=1S/C11H16FNS/c1-8-4-5-10(14-8)11(12)9-3-2-6-13-7-9/h4-5,9,11,13H,2-3,6-7H2,1H3
InChIKeyNOUXRZPWSDLDIK-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561207
3-(5-Methylthiophen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 23352282
(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
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
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-propyl-8-[5-[4-(propylamino)butyl]thiophen-2-yl]octan-1-amine
CID 16125860
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-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine (CID 112565362) is 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(C(F)C2CCCNC2)s1.
What is the InChIKey of 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is NOUXRZPWSDLDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-4-5-10(14-8)11(12)9-3-2-6-13-7-9/h4-5,9,11,13H,2-3,6-7H2,1H3.
What are the key properties of 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine?
3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 112565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).