3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol

C15H21NO2 — CID 82986131

IUPAC3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCC1CCN(C2COc3cc(O)ccc32)CC1
InChIInChI=1S/C15H21NO2/c1-2-11-5-7-16(8-6-11)14-10-18-15-9-12(17)3-4-13(14)15/h3-4,9,11,14,17H,2,5-8,10H2,1H3
InChIKeyMBMUNELAENXGJX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds2

About 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol

3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82986131) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82986131
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCC1CCN(C2COc3cc(O)ccc32)CC1
InChIInChI=1S/C15H21NO2/c1-2-11-5-7-16(8-6-11)14-10-18-15-9-12(17)3-4-13(14)15/h3-4,9,11,14,17H,2,5-8,10H2,1H3
InChIKeyMBMUNELAENXGJX-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65056044
4-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65066158
5-(4-ethylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985819
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
CID 63240862
3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
CID 65064378
3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229
3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82985765
3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 79115818
2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
CID 65063196
1-(4-ethylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82986053

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol (CID 82986131) is 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol is CCC1CCN(C2COc3cc(O)ccc32)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is MBMUNELAENXGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11-5-7-16(8-6-11)14-10-18-15-9-12(17)3-4-13(14)15/h3-4,9,11,14,17H,2,5-8,10H2,1H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 247.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82986131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).