3-(1-fluoro-1-thiophen-2-ylethyl)piperidine

C11H16FNS — CID 112564974

IUPAC3-(1-fluoro-1-thiophen-2-ylethyl)piperidine
SMILESCC(F)(c1cccs1)C1CCCNC1
InChIInChI=1S/C11H16FNS/c1-11(12,10-5-3-7-14-10)9-4-2-6-13-8-9/h3,5,7,9,13H,2,4,6,8H2,1H3
InChIKeyXTMBFSRWRVRZQQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.93
Rot. Bonds2

About 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine

3-(1-fluoro-1-thiophen-2-ylethyl)piperidine (PubChem CID 112564974) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name3-(1-fluoro-1-thiophen-2-ylethyl)piperidine
PubChem CID112564974
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name3-(1-fluoro-1-thiophen-2-ylethyl)piperidine
SMILESCC(F)(c1cccs1)C1CCCNC1
InChIInChI=1S/C11H16FNS/c1-11(12,10-5-3-7-14-10)9-4-2-6-13-8-9/h3,5,7,9,13H,2,4,6,8H2,1H3
InChIKeyXTMBFSRWRVRZQQ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine?
The IUPAC name of 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine (CID 112564974) is 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine is CC(F)(c1cccs1)C1CCCNC1.
What is the InChIKey of 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine?
The InChIKey is XTMBFSRWRVRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-11(12,10-5-3-7-14-10)9-4-2-6-13-8-9/h3,5,7,9,13H,2,4,6,8H2,1H3.
What are the key properties of 3-(1-fluoro-1-thiophen-2-ylethyl)piperidine?
3-(1-fluoro-1-thiophen-2-ylethyl)piperidine has a molecular weight of 213.32 g/mol, XLogP of 2.93, 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-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 112564974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).