3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile

C10H15FN2O — CID 178124805

IUPAC3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC1CCN(C2(C#N)COC2)CC1F
InChIInChI=1S/C10H15FN2O/c1-8-2-3-13(4-9(8)11)10(5-12)6-14-7-10/h8-9H,2-4,6-7H2,1H3
InChIKeyZJTNKGVIHSSORO-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.96
Rot. Bonds1

About 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile

3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile (PubChem CID 178124805) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile
PubChem CID178124805
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC1CCN(C2(C#N)COC2)CC1F
InChIInChI=1S/C10H15FN2O/c1-8-2-3-13(4-9(8)11)10(5-12)6-14-7-10/h8-9H,2-4,6-7H2,1H3
InChIKeyZJTNKGVIHSSORO-UHFFFAOYSA-N
XLogP0.96
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile?
The IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile (CID 178124805) is 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile is CC1CCN(C2(C#N)COC2)CC1F.
What is the InChIKey of 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile?
The InChIKey is ZJTNKGVIHSSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8-2-3-13(4-9(8)11)10(5-12)6-14-7-10/h8-9H,2-4,6-7H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile?
3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile has a molecular weight of 198.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile is sourced from PubChem (CID 178124805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).