[1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol

C19H22FNO3S — CID 47010441

IUPAC[1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2cc(F)cc3c2OC(c2ccsc2)OC3)C1
InChIInChI=1S/C19H22FNO3S/c20-17-6-15(9-21-4-1-2-13(8-21)10-22)18-16(7-17)11-23-19(24-18)14-3-5-25-12-14/h3,5-7,12-13,19,22H,1-2,4,8-11H2
InChIKeyNPQVTGVRQDCXKS-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.70
Rot. Bonds4

About [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol

[1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol (PubChem CID 47010441) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol
PubChem CID47010441
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name[1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2cc(F)cc3c2OC(c2ccsc2)OC3)C1
InChIInChI=1S/C19H22FNO3S/c20-17-6-15(9-21-4-1-2-13(8-21)10-22)18-16(7-17)11-23-19(24-18)14-3-5-25-12-14/h3,5-7,12-13,19,22H,1-2,4,8-11H2
InChIKeyNPQVTGVRQDCXKS-UHFFFAOYSA-N
XLogP3.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol 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-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol (CID 47010441) is [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2cc(F)cc3c2OC(c2ccsc2)OC3)C1.
What is the InChIKey of [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is NPQVTGVRQDCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c20-17-6-15(9-21-4-1-2-13(8-21)10-22)18-16(7-17)11-23-19(24-18)14-3-5-25-12-14/h3,5-7,12-13,19,22H,1-2,4,8-11H2.
What are the key properties of [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol?
[1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 363.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 47010441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).