3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine

C11H20FNO — CID 126790324

IUPAC3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine
SMILESCC1(F)CCCN(CC2CCOC2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)4-2-5-13(9-11)7-10-3-6-14-8-10/h10H,2-9H2,1H3
InChIKeyHTKAGWQFCIBTJY-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds2

About 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine

3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 126790324) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine
PubChem CID126790324
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine
SMILESCC1(F)CCCN(CC2CCOC2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)4-2-5-13(9-11)7-10-3-6-14-8-10/h10H,2-9H2,1H3
InChIKeyHTKAGWQFCIBTJY-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
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-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine (CID 126790324) is 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine is CC1(F)CCCN(CC2CCOC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is HTKAGWQFCIBTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)4-2-5-13(9-11)7-10-3-6-14-8-10/h10H,2-9H2,1H3.
What are the key properties of 3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine?
3-fluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 2 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-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 126790324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).