3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile

C12H19FN2O — CID 178125352

IUPAC3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC(C)C1CCN(C2(C#N)COC2)CC1F
InChIInChI=1S/C12H19FN2O/c1-9(2)10-3-4-15(5-11(10)13)12(6-14)7-16-8-12/h9-11H,3-5,7-8H2,1-2H3
InChIKeyHSYNXWRSPPJVRE-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.59
Rot. Bonds2

About 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile

3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile (PubChem CID 178125352) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
PubChem CID178125352
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC(C)C1CCN(C2(C#N)COC2)CC1F
InChIInChI=1S/C12H19FN2O/c1-9(2)10-3-4-15(5-11(10)13)12(6-14)7-16-8-12/h9-11H,3-5,7-8H2,1-2H3
InChIKeyHSYNXWRSPPJVRE-UHFFFAOYSA-N
XLogP1.59
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 138617857
3-Fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 145316268
4-Tert-butyl-3-fluoro-1-(oxetan-3-yl)piperidine
CID 154587057
(3S,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740921
(3S,4R)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740924
(3R,4R)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740932
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740933
4-Fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 169805057
3-Fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidine
CID 170642668
3-Fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine
CID 171550996
[3-Fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine
CID 171551596
3,3-Difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine
CID 171551916

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The IUPAC name of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile (CID 178125352) is 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile is CC(C)C1CCN(C2(C#N)COC2)CC1F.
What is the InChIKey of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The InChIKey is HSYNXWRSPPJVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(2)10-3-4-15(5-11(10)13)12(6-14)7-16-8-12/h9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile has a molecular weight of 226.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile is sourced from PubChem (CID 178125352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).