4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine

C13H22FNO — CID 147727532

IUPAC4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine
SMILESFC1CCC2C(C1)OCC2C1CCNCC1
InChIInChI=1S/C13H22FNO/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h9-13,15H,1-8H2
InChIKeyGXTZEMNIQZTTDV-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.14
Rot. Bonds1

About 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine

4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine (PubChem CID 147727532) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine.

Molecular Properties

Compound Name4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine
PubChem CID147727532
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine
SMILESFC1CCC2C(C1)OCC2C1CCNCC1
InChIInChI=1S/C13H22FNO/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h9-13,15H,1-8H2
InChIKeyGXTZEMNIQZTTDV-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine?
The IUPAC name of 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine (CID 147727532) is 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine.
What is the SMILES notation for 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine?
The canonical SMILES for 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine is FC1CCC2C(C1)OCC2C1CCNCC1.
What is the InChIKey of 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine?
The InChIKey is GXTZEMNIQZTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h9-13,15H,1-8H2.
What are the key properties of 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine?
4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine has a molecular weight of 227.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)piperidine is sourced from PubChem (CID 147727532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).