4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine

C12H18FNS — CID 112563744

IUPAC4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine
SMILESFC(CCc1cccs1)C1CCNCC1
InChIInChI=1S/C12H18FNS/c13-12(10-5-7-14-8-6-10)4-3-11-2-1-9-15-11/h1-2,9-10,12,14H,3-8H2
InChIKeyOJXJYGAIXZIGQN-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.02
Rot. Bonds4

About 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine

4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine (PubChem CID 112563744) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine.

Molecular Properties

Compound Name4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine
PubChem CID112563744
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine
SMILESFC(CCc1cccs1)C1CCNCC1
InChIInChI=1S/C12H18FNS/c13-12(10-5-7-14-8-6-10)4-3-11-2-1-9-15-11/h1-2,9-10,12,14H,3-8H2
InChIKeyOJXJYGAIXZIGQN-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine?
The IUPAC name of 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine (CID 112563744) is 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine.
What is the SMILES notation for 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine?
The canonical SMILES for 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine is FC(CCc1cccs1)C1CCNCC1.
What is the InChIKey of 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine?
The InChIKey is OJXJYGAIXZIGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c13-12(10-5-7-14-8-6-10)4-3-11-2-1-9-15-11/h1-2,9-10,12,14H,3-8H2.
What are the key properties of 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine?
4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine has a molecular weight of 227.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-3-thiophen-2-ylpropyl)piperidine is sourced from PubChem (CID 112563744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).