1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol

C23H29NO2 — CID 73352696

IUPAC1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)C1Oc2ccccc2C1CCc1ccccc1
InChIInChI=1S/C23H29NO2/c25-21(17-24-15-7-2-8-16-24)23-20(14-13-18-9-3-1-4-10-18)19-11-5-6-12-22(19)26-23/h1,3-6,9-12,20-21,23,25H,2,7-8,13-17H2
InChIKeyWXYWDEZLAOBARR-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.01
Rot. Bonds6

About 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol

1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol (PubChem CID 73352696) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol
PubChem CID73352696
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)C1Oc2ccccc2C1CCc1ccccc1
InChIInChI=1S/C23H29NO2/c25-21(17-24-15-7-2-8-16-24)23-20(14-13-18-9-3-1-4-10-18)19-11-5-6-12-22(19)26-23/h1,3-6,9-12,20-21,23,25H,2,7-8,13-17H2
InChIKeyWXYWDEZLAOBARR-UHFFFAOYSA-N
XLogP4.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Allylphenoxy)-3-morpholinopropan-2-ol
CID 2769774
4-Morpholineethanol, alpha-((1-naphthalenyloxy)methyl)-
CID 98212
1-(2-Isopropylphenoxy)-3-morpholinopropan-2-ol
CID 4080436
(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-3-pyrrolidinol
CID 10668211
1-Piperidineethanol, alpha-((1-naphthalenyloxy)methyl)-
CID 199925
2-Phenethyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ol
CID 46229771
4-[4-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]benzonitrile
CID 3438085
alpha-((2-Methylphenoxy)methyl)-1-piperidineethanol hydrochloride
CID 11972088
alpha-((2,6-Xylyloxy)methyl)-1-piperidineethanol hydrochloride
CID 16196098
1-(3-Methylpiperidyl)-3-(4-phenylphenoxy)propan-2-ol
CID 16318028
1-(Dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol
CID 3070702
1-(Dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-2-propanol
CID 3070706

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol?
The IUPAC name of 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol (CID 73352696) is 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol?
The canonical SMILES for 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol is OC(CN1CCCCC1)C1Oc2ccccc2C1CCc1ccccc1.
What is the InChIKey of 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol?
The InChIKey is WXYWDEZLAOBARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c25-21(17-24-15-7-2-8-16-24)23-20(14-13-18-9-3-1-4-10-18)19-11-5-6-12-22(19)26-23/h1,3-6,9-12,20-21,23,25H,2,7-8,13-17H2.
What are the key properties of 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol?
1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol has a molecular weight of 351.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-piperidin-1-ylethanol is sourced from PubChem (CID 73352696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).