3-fluoro-3-(5-methylthiophen-3-yl)piperidine

C10H14FNS — CID 112563058

IUPAC3-fluoro-3-(5-methylthiophen-3-yl)piperidine
SMILESCc1cc(C2(F)CCCNC2)cs1
InChIInChI=1S/C10H14FNS/c1-8-5-9(6-13-8)10(11)3-2-4-12-7-10/h5-6,12H,2-4,7H2,1H3
InChIKeyVLMLKNTYQHOGPW-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.60
Rot. Bonds1

About 3-fluoro-3-(5-methylthiophen-3-yl)piperidine

3-fluoro-3-(5-methylthiophen-3-yl)piperidine (PubChem CID 112563058) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-fluoro-3-(5-methylthiophen-3-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(5-methylthiophen-3-yl)piperidine
PubChem CID112563058
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name3-fluoro-3-(5-methylthiophen-3-yl)piperidine
SMILESCc1cc(C2(F)CCCNC2)cs1
InChIInChI=1S/C10H14FNS/c1-8-5-9(6-13-8)10(11)3-2-4-12-7-10/h5-6,12H,2-4,7H2,1H3
InChIKeyVLMLKNTYQHOGPW-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.60
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-3-yl)piperidine?
The IUPAC name of 3-fluoro-3-(5-methylthiophen-3-yl)piperidine (CID 112563058) is 3-fluoro-3-(5-methylthiophen-3-yl)piperidine.
What is the SMILES notation for 3-fluoro-3-(5-methylthiophen-3-yl)piperidine?
The canonical SMILES for 3-fluoro-3-(5-methylthiophen-3-yl)piperidine is Cc1cc(C2(F)CCCNC2)cs1.
What is the InChIKey of 3-fluoro-3-(5-methylthiophen-3-yl)piperidine?
The InChIKey is VLMLKNTYQHOGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-8-5-9(6-13-8)10(11)3-2-4-12-7-10/h5-6,12H,2-4,7H2,1H3.
What are the key properties of 3-fluoro-3-(5-methylthiophen-3-yl)piperidine?
3-fluoro-3-(5-methylthiophen-3-yl)piperidine has a molecular weight of 199.29 g/mol, XLogP of 2.60, 1 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-3-yl)piperidine is sourced from PubChem (CID 112563058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).