4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine

C12H22FNO — CID 154587057

IUPAC4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCN(C2COC2)CC1F
InChIInChI=1S/C12H22FNO/c1-12(2,3)10-4-5-14(6-11(10)13)9-7-15-8-9/h9-11H,4-8H2,1-3H3
InChIKeyBPJBETNVYKOLFY-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.09
Rot. Bonds1

About 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine

4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine (PubChem CID 154587057) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine
PubChem CID154587057
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCN(C2COC2)CC1F
InChIInChI=1S/C12H22FNO/c1-12(2,3)10-4-5-14(6-11(10)13)9-7-15-8-9/h9-11H,4-8H2,1-3H3
InChIKeyBPJBETNVYKOLFY-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine (CID 154587057) is 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine is CC(C)(C)C1CCN(C2COC2)CC1F.
What is the InChIKey of 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine?
The InChIKey is BPJBETNVYKOLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(2,3)10-4-5-14(6-11(10)13)9-7-15-8-9/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine?
4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 154587057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).