[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol

C22H27NO2 — CID 111487291

IUPAC[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C22H27NO2/c24-22(18-4-2-1-3-5-18)19-9-13-23(14-10-19)12-8-17-6-7-21-20(16-17)11-15-25-21/h1-7,16,19,22,24H,8-15H2
InChIKeyUDOATDKDWFIUJE-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.61
Rot. Bonds5

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

[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol (PubChem CID 111487291) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
PubChem CID111487291
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C22H27NO2/c24-22(18-4-2-1-3-5-18)19-9-13-23(14-10-19)12-8-17-6-7-21-20(16-17)11-15-25-21/h1-7,16,19,22,24H,8-15H2
InChIKeyUDOATDKDWFIUJE-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azepan-4-yl]-2,2-diphenylacetamide
CID 142809097
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2,3-dihydroxybutanedioic acid
CID 69305923
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
tert-butyl N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]carbamate
CID 71987002

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol (CID 111487291) is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol is OC(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is UDOATDKDWFIUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-22(18-4-2-1-3-5-18)19-9-13-23(14-10-19)12-8-17-6-7-21-20(16-17)11-15-25-21/h1-7,16,19,22,24H,8-15H2.
What are the key properties of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol?
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 337.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 111487291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).