1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol

C16H21NO2 — CID 114723249

IUPAC1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
SMILESCc1ccc2oc(C(C)(O)C3CCCNC3)cc2c1
InChIInChI=1S/C16H21NO2/c1-11-5-6-14-12(8-11)9-15(19-14)16(2,18)13-4-3-7-17-10-13/h5-6,8-9,13,17-18H,3-4,7,10H2,1-2H3
InChIKeyUBYXMCMAZUSCJG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.95
Rot. Bonds2

About 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol

1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol (PubChem CID 114723249) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
PubChem CID114723249
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
SMILESCc1ccc2oc(C(C)(O)C3CCCNC3)cc2c1
InChIInChI=1S/C16H21NO2/c1-11-5-6-14-12(8-11)9-15(19-14)16(2,18)13-4-3-7-17-10-13/h5-6,8-9,13,17-18H,3-4,7,10H2,1-2H3
InChIKeyUBYXMCMAZUSCJG-UHFFFAOYSA-N
XLogP2.95
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine
CID 114736046
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
1-(4-aminophenyl)-1-piperidin-3-ylethanol
CID 115032208
2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
CID 114724818
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol (CID 114723249) is 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol is Cc1ccc2oc(C(C)(O)C3CCCNC3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol?
The InChIKey is UBYXMCMAZUSCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-5-6-14-12(8-11)9-15(19-14)16(2,18)13-4-3-7-17-10-13/h5-6,8-9,13,17-18H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol?
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol has a molecular weight of 259.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 114723249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).