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

C15H21NO2 — CID 82985765

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1CCN(C2COc3cc(O)ccc32)C(C)C1
InChIInChI=1S/C15H21NO2/c1-10-5-6-16(11(2)7-10)14-9-18-15-8-12(17)3-4-13(14)15/h3-4,8,10-11,14,17H,5-7,9H2,1-2H3
InChIKeyRMKXACCOQSGQMV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds1

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

3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82985765) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82985765
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1CCN(C2COc3cc(O)ccc32)C(C)C1
InChIInChI=1S/C15H21NO2/c1-10-5-6-16(11(2)7-10)14-9-18-15-8-12(17)3-4-13(14)15/h3-4,8,10-11,14,17H,5-7,9H2,1-2H3
InChIKeyRMKXACCOQSGQMV-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
CID 65063196
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65056044
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
CID 63240862
4-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65066158
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82958957
3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol
CID 59846967
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
CID 65064378

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol (CID 82985765) is 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol is CC1CCN(C2COc3cc(O)ccc32)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is RMKXACCOQSGQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-5-6-16(11(2)7-10)14-9-18-15-8-12(17)3-4-13(14)15/h3-4,8,10-11,14,17H,5-7,9H2,1-2H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 247.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82985765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).