2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol

C15H19NO2 — CID 71541292

IUPAC2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol
SMILESOCC[C@]1(c2cc3ccccc3o2)CCCNC1
InChIInChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1
InChIKeyQLSUBNPMUSWHLS-OAHLLOKOSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds3

About 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol

2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol (PubChem CID 71541292) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol
PubChem CID71541292
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol
SMILESOCC[C@]1(c2cc3ccccc3o2)CCCNC1
InChIInChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1
InChIKeyQLSUBNPMUSWHLS-OAHLLOKOSA-N
XLogP2.44
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol (CID 71541292) is 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol is OCC[C@]1(c2cc3ccccc3o2)CCCNC1.
What is the InChIKey of 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol?
The InChIKey is QLSUBNPMUSWHLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol?
2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol has a molecular weight of 245.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 71541292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).