2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol

C14H19NO2 — CID 43146492

IUPAC2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)C1CCCNC1
InChIInChI=1S/C14H19NO2/c16-14(12-2-1-6-15-9-12)11-3-4-13-10(8-11)5-7-17-13/h3-4,8,12,14-16H,1-2,5-7,9H2
InChIKeyYKYMRQRXZAJVMZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol

2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol (PubChem CID 43146492) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
PubChem CID43146492
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)C1CCCNC1
InChIInChI=1S/C14H19NO2/c16-14(12-2-1-6-15-9-12)11-3-4-13-10(8-11)5-7-17-13/h3-4,8,12,14-16H,1-2,5-7,9H2
InChIKeyYKYMRQRXZAJVMZ-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

2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
CID 167875289
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 63426478
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
CID 171275740
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol
CID 82340267
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol (CID 43146492) is 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol is OC(c1ccc2c(c1)CCO2)C1CCCNC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol?
The InChIKey is YKYMRQRXZAJVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(12-2-1-6-15-9-12)11-3-4-13-10(8-11)5-7-17-13/h3-4,8,12,14-16H,1-2,5-7,9H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol?
2,3-dihydro-1-benzofuran-5-yl(piperidin-3-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 2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol is sourced from PubChem (CID 43146492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).