(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol

C14H19NO2 — CID 176569877

IUPAC(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESOCc1ccc2c(c1)OCC2C1CCNCC1
InChIInChI=1S/C14H19NO2/c16-8-10-1-2-12-13(9-17-14(12)7-10)11-3-5-15-6-4-11/h1-2,7,11,13,15-16H,3-6,8-9H2
InChIKeyNPIMRIBNLFDOIY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds2

About (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol

(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol (PubChem CID 176569877) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol.

Molecular Properties

Compound Name(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol
PubChem CID176569877
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESOCc1ccc2c(c1)OCC2C1CCNCC1
InChIInChI=1S/C14H19NO2/c16-8-10-1-2-12-13(9-17-14(12)7-10)11-3-5-15-6-4-11/h1-2,7,11,13,15-16H,3-6,8-9H2
InChIKeyNPIMRIBNLFDOIY-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(6-fluoro-2,3-dihydro-1-benzofuran-3-yl)piperidine
CID 176569512
2,8,17-trioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(18),19,21-trien-21-ylmethanol
CID 131990896
1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
CID 117203737
[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
CID 144823127
[(3aS,9bS)-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-8-yl]methanol
CID 153287549
N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 69467433
(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol
CID 134970015
5-[(3R)-7-(hydroxymethyl)-2,3-dihydro-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
CID 163673124
7-(hydroxymethyl)-3,4-dihydro-2H-chromene-3-carbaldehyde
CID 155054270
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 67361681
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The IUPAC name of (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol (CID 176569877) is (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol.
What is the SMILES notation for (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The canonical SMILES for (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol is OCc1ccc2c(c1)OCC2C1CCNCC1.
What is the InChIKey of (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The InChIKey is NPIMRIBNLFDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-8-10-1-2-12-13(9-17-14(12)7-10)11-3-5-15-6-4-11/h1-2,7,11,13,15-16H,3-6,8-9H2.
What are the key properties of (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol?
(3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol has a molecular weight of 233.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-yl-2,3-dihydro-1-benzofuran-6-yl)methanol is sourced from PubChem (CID 176569877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).