3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine

C12H22FNO — CID 126793614

IUPAC3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine
SMILESCC1(F)CCCN(CCC2CCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-2-6-14(10-12)7-3-11-4-8-15-9-11/h11H,2-10H2,1H3
InChIKeyZOFZVOAPDCWYPB-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds3

About 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine

3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine (PubChem CID 126793614) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine
PubChem CID126793614
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine
SMILESCC1(F)CCCN(CCC2CCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-2-6-14(10-12)7-3-11-4-8-15-9-11/h11H,2-10H2,1H3
InChIKeyZOFZVOAPDCWYPB-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine?
The IUPAC name of 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine (CID 126793614) is 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine is CC1(F)CCCN(CCC2CCOC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine?
The InChIKey is ZOFZVOAPDCWYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13)5-2-6-14(10-12)7-3-11-4-8-15-9-11/h11H,2-10H2,1H3.
What are the key properties of 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine?
3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-[2-(oxolan-3-yl)ethyl]piperidine is sourced from PubChem (CID 126793614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).