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

C19H26FNO3 — CID 67190213

IUPAC(1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cc(F)cc2ccoc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H26FNO3/c1-23-9-3-2-7-19(22,15-5-4-8-21-13-15)17-12-16(20)11-14-6-10-24-18(14)17/h6,10-12,15,21-22H,2-5,7-9,13H2,1H3/t15-,19+/m1/s1
InChIKeyKRARQQRWVMHBGT-BEFAXECRSA-N
MW335.42 g/mol
LogP3.58
Rot. Bonds7

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

(1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (PubChem CID 67190213) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
PubChem CID67190213
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cc(F)cc2ccoc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H26FNO3/c1-23-9-3-2-7-19(22,15-5-4-8-21-13-15)17-12-16(20)11-14-6-10-24-18(14)17/h6,10-12,15,21-22H,2-5,7-9,13H2,1H3/t15-,19+/m1/s1
InChIKeyKRARQQRWVMHBGT-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'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The IUPAC name of (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (CID 67190213) is (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.
What is the SMILES notation for (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The canonical SMILES for (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is COCCCC[C@@](O)(c1cc(F)cc2ccoc12)[C@@H]1CCCNC1.
What is the InChIKey of (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The InChIKey is KRARQQRWVMHBGT-BEFAXECRSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-23-9-3-2-7-19(22,15-5-4-8-21-13-15)17-12-16(20)11-14-6-10-24-18(14)17/h6,10-12,15,21-22H,2-5,7-9,13H2,1H3/t15-,19+/m1/s1.
What are the key properties of (1S)-1-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
(1S)-1-(5-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-(5-fluoro-1-benzofuran-7-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is sourced from PubChem (CID 67190213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).