1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine

C21H24FNO3 — CID 71887172

IUPAC1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine
SMILESFc1cc2c(c(CN3CCC(COc4ccccc4)CC3)c1)OCOC2
InChIInChI=1S/C21H24FNO3/c22-19-10-17(21-18(11-19)14-24-15-26-21)12-23-8-6-16(7-9-23)13-25-20-4-2-1-3-5-20/h1-5,10-11,16H,6-9,12-15H2
InChIKeyLXZASNIYMLALHJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.98
Rot. Bonds5

About 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine (PubChem CID 71887172) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine
PubChem CID71887172
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine
SMILESFc1cc2c(c(CN3CCC(COc4ccccc4)CC3)c1)OCOC2
InChIInChI=1S/C21H24FNO3/c22-19-10-17(21-18(11-19)14-24-15-26-21)12-23-8-6-16(7-9-23)13-25-20-4-2-1-3-5-20/h1-5,10-11,16H,6-9,12-15H2
InChIKeyLXZASNIYMLALHJ-UHFFFAOYSA-N
XLogP3.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine?
The IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine (CID 71887172) is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine?
The canonical SMILES for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine is Fc1cc2c(c(CN3CCC(COc4ccccc4)CC3)c1)OCOC2.
What is the InChIKey of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine?
The InChIKey is LXZASNIYMLALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c22-19-10-17(21-18(11-19)14-24-15-26-21)12-23-8-6-16(7-9-23)13-25-20-4-2-1-3-5-20/h1-5,10-11,16H,6-9,12-15H2.
What are the key properties of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine?
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine has a molecular weight of 357.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenoxymethyl)piperidine is sourced from PubChem (CID 71887172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).