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

C11H16FNS — CID 83821332

IUPAC3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CC2(F)CCCNC2)s1
InChIInChI=1S/C11H16FNS/c1-9-3-4-10(14-9)7-11(12)5-2-6-13-8-11/h3-4,13H,2,5-8H2,1H3
InChIKeyXFMXTWXKAQSCEQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.69
Rot. Bonds2

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

3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 83821332) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID83821332
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CC2(F)CCCNC2)s1
InChIInChI=1S/C11H16FNS/c1-9-3-4-10(14-9)7-11(12)5-2-6-13-8-11/h3-4,13H,2,5-8H2,1H3
InChIKeyXFMXTWXKAQSCEQ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine (CID 83821332) is 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(CC2(F)CCCNC2)s1.
What is the InChIKey of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is XFMXTWXKAQSCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9-3-4-10(14-9)7-11(12)5-2-6-13-8-11/h3-4,13H,2,5-8H2,1H3.
What are the key properties of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine?
3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 83821332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).