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

C11H16FNS — CID 102839232

IUPAC3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine
SMILESCc1sccc1C(F)C1CCCNC1
InChIInChI=1S/C11H16FNS/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h4,6,9,11,13H,2-3,5,7H2,1H3
InChIKeyJXCNVFBFOZSQRF-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.07
Rot. Bonds2

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

3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine (PubChem CID 102839232) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine
PubChem CID102839232
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine
SMILESCc1sccc1C(F)C1CCCNC1
InChIInChI=1S/C11H16FNS/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h4,6,9,11,13H,2-3,5,7H2,1H3
InChIKeyJXCNVFBFOZSQRF-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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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine (CID 102839232) is 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine is Cc1sccc1C(F)C1CCCNC1.
What is the InChIKey of 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine?
The InChIKey is JXCNVFBFOZSQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h4,6,9,11,13H,2-3,5,7H2,1H3.
What are the key properties of 3-[fluoro-(2-methylthiophen-3-yl)methyl]piperidine?
3-[fluoro-(2-methylthiophen-3-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-(2-methylthiophen-3-yl)methyl]piperidine is sourced from PubChem (CID 102839232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).