(1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol

C19H26FNO3 — CID 67189620

IUPAC(1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc2cc(F)oc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H26FNO3/c1-23-11-3-2-9-19(22,15-7-5-10-21-13-15)16-8-4-6-14-12-17(20)24-18(14)16/h4,6,8,12,15,21-22H,2-3,5,7,9-11,13H2,1H3/t15-,19+/m1/s1
InChIKeyUBRAMWIPZUMAMH-BEFAXECRSA-N
MW335.42 g/mol
LogP3.58
Rot. Bonds7

About (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol

(1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (PubChem CID 67189620) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
PubChem CID67189620
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc2cc(F)oc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H26FNO3/c1-23-11-3-2-9-19(22,15-7-5-10-21-13-15)16-8-4-6-14-12-17(20)24-18(14)16/h4,6,8,12,15,21-22H,2-3,5,7,9-11,13H2,1H3/t15-,19+/m1/s1
InChIKeyUBRAMWIPZUMAMH-BEFAXECRSA-N
XLogP3.58
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol 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 (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The IUPAC name of (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (CID 67189620) is (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.
What is the SMILES notation for (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The canonical SMILES for (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is COCCCC[C@@](O)(c1cccc2cc(F)oc12)[C@@H]1CCCNC1.
What is the InChIKey of (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The InChIKey is UBRAMWIPZUMAMH-BEFAXECRSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-23-11-3-2-9-19(22,15-7-5-10-21-13-15)16-8-4-6-14-12-17(20)24-18(14)16/h4,6,8,12,15,21-22H,2-3,5,7,9-11,13H2,1H3/t15-,19+/m1/s1.
What are the key properties of (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
(1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol has a molecular weight of 335.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is sourced from PubChem (CID 67189620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).