[1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite

C9H17FN2O — CID 168901818

IUPAC[1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite
SMILESFOC1CCN(CC2CNC2)CC1
InChIInChI=1S/C9H17FN2O/c10-13-9-1-3-12(4-2-9)7-8-5-11-6-8/h8-9,11H,1-7H2
InChIKeyBWPVNBCHMGSLPU-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.57
Rot. Bonds3

About [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite

[1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite (PubChem CID 168901818) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite.

Molecular Properties

Compound Name[1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite
PubChem CID168901818
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name[1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite
SMILESFOC1CCN(CC2CNC2)CC1
InChIInChI=1S/C9H17FN2O/c10-13-9-1-3-12(4-2-9)7-8-5-11-6-8/h8-9,11H,1-7H2
InChIKeyBWPVNBCHMGSLPU-UHFFFAOYSA-N
XLogP0.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite 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 [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite?
The IUPAC name of [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite (CID 168901818) is [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite.
What is the SMILES notation for [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite?
The canonical SMILES for [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite is FOC1CCN(CC2CNC2)CC1.
What is the InChIKey of [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite?
The InChIKey is BWPVNBCHMGSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-13-9-1-3-12(4-2-9)7-8-5-11-6-8/h8-9,11H,1-7H2.
What are the key properties of [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite?
[1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite has a molecular weight of 188.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite is sourced from PubChem (CID 168901818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).