4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine

C11H20FNO2 — CID 166800027

IUPAC4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine
SMILESCOCC1(F)CCN(C2CCOC2)CC1
InChIInChI=1S/C11H20FNO2/c1-14-9-11(12)3-5-13(6-4-11)10-2-7-15-8-10/h10H,2-9H2,1H3
InChIKeyHMBZCORGAYSFBT-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.23
Rot. Bonds3

About 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine

4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine (PubChem CID 166800027) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine
PubChem CID166800027
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine
SMILESCOCC1(F)CCN(C2CCOC2)CC1
InChIInChI=1S/C11H20FNO2/c1-14-9-11(12)3-5-13(6-4-11)10-2-7-15-8-10/h10H,2-9H2,1H3
InChIKeyHMBZCORGAYSFBT-UHFFFAOYSA-N
XLogP1.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine (CID 166800027) is 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine is COCC1(F)CCN(C2CCOC2)CC1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine?
The InChIKey is HMBZCORGAYSFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-14-9-11(12)3-5-13(6-4-11)10-2-7-15-8-10/h10H,2-9H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine?
4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine has a molecular weight of 217.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-1-(oxolan-3-yl)piperidine is sourced from PubChem (CID 166800027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).