3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole

C12H13FN2O — CID 154149101

IUPAC3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole
SMILESFC1CCC(c2noc3ccccc23)CN1
InChIInChI=1S/C12H13FN2O/c13-11-6-5-8(7-14-11)12-9-3-1-2-4-10(9)16-15-12/h1-4,8,11,14H,5-7H2
InChIKeyWAWWHNHSIBMISY-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.59
Rot. Bonds1

About 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole

3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole (PubChem CID 154149101) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole
PubChem CID154149101
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole
SMILESFC1CCC(c2noc3ccccc23)CN1
InChIInChI=1S/C12H13FN2O/c13-11-6-5-8(7-14-11)12-9-3-1-2-4-10(9)16-15-12/h1-4,8,11,14H,5-7H2
InChIKeyWAWWHNHSIBMISY-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole?
The IUPAC name of 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole (CID 154149101) is 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole.
What is the SMILES notation for 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole?
The canonical SMILES for 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole is FC1CCC(c2noc3ccccc23)CN1.
What is the InChIKey of 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole?
The InChIKey is WAWWHNHSIBMISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-6-5-8(7-14-11)12-9-3-1-2-4-10(9)16-15-12/h1-4,8,11,14H,5-7H2.
What are the key properties of 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole?
3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole has a molecular weight of 220.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole is sourced from PubChem (CID 154149101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).