4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine

C11H20FNO — CID 112563247

IUPAC4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine
SMILESFC1(CCC2CCCO2)CCNCC1
InChIInChI=1S/C11H20FNO/c12-11(5-7-13-8-6-11)4-3-10-2-1-9-14-10/h10,13H,1-9H2
InChIKeyIKRXKPGTGUBXPG-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.04
Rot. Bonds3

About 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine

4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine (PubChem CID 112563247) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine
PubChem CID112563247
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine
SMILESFC1(CCC2CCCO2)CCNCC1
InChIInChI=1S/C11H20FNO/c12-11(5-7-13-8-6-11)4-3-10-2-1-9-14-10/h10,13H,1-9H2
InChIKeyIKRXKPGTGUBXPG-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine?
The IUPAC name of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine (CID 112563247) is 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine is FC1(CCC2CCCO2)CCNCC1.
What is the InChIKey of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine?
The InChIKey is IKRXKPGTGUBXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(5-7-13-8-6-11)4-3-10-2-1-9-14-10/h10,13H,1-9H2.
What are the key properties of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine?
4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine has a molecular weight of 201.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine is sourced from PubChem (CID 112563247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).