3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine

C10H20FNO — CID 58266711

IUPAC3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCNCC1(C)F
InChIInChI=1S/C10H20FNO/c1-9(2,3)13-8-5-6-12-7-10(8,4)11/h8,12H,5-7H2,1-4H3
InChIKeyGEHKCZDRIQNQRS-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds1

About 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine

3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 58266711) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID58266711
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCNCC1(C)F
InChIInChI=1S/C10H20FNO/c1-9(2,3)13-8-5-6-12-7-10(8,4)11/h8,12H,5-7H2,1-4H3
InChIKeyGEHKCZDRIQNQRS-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 58266711) is 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)OC1CCNCC1(C)F.
What is the InChIKey of 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is GEHKCZDRIQNQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,3)13-8-5-6-12-7-10(8,4)11/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 58266711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).