1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol

C16H23NO2 — CID 111113743

IUPAC1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H23NO2/c1-12(18)14-4-7-17(8-5-14)11-13-2-3-16-15(10-13)6-9-19-16/h2-3,10,12,14,18H,4-9,11H2,1H3
InChIKeyWUOXTTGNASJVAR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds3

About 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol

1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol (PubChem CID 111113743) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
PubChem CID111113743
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H23NO2/c1-12(18)14-4-7-17(8-5-14)11-13-2-3-16-15(10-13)6-9-19-16/h2-3,10,12,14,18H,4-9,11H2,1H3
InChIKeyWUOXTTGNASJVAR-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
1-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethanol
CID 103656892
(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95274066
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
CID 111487291
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
(2S)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129489011
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol (CID 111113743) is 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol?
The InChIKey is WUOXTTGNASJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(18)14-4-7-17(8-5-14)11-13-2-3-16-15(10-13)6-9-19-16/h2-3,10,12,14,18H,4-9,11H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol?
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 111113743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).