3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol

C15H21NO2 — CID 13084823

IUPAC3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol
SMILESCC1(C)c2cc(O)ccc2OC1N1CCCCC1
InChIInChI=1S/C15H21NO2/c1-15(2)12-10-11(17)6-7-13(12)18-14(15)16-8-4-3-5-9-16/h6-7,10,14,17H,3-5,8-9H2,1-2H3
InChIKeyITRLVVKTHRNGDT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.87
Rot. Bonds1

About 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol

3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol (PubChem CID 13084823) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol
PubChem CID13084823
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol
SMILESCC1(C)c2cc(O)ccc2OC1N1CCCCC1
InChIInChI=1S/C15H21NO2/c1-15(2)12-10-11(17)6-7-13(12)18-14(15)16-8-4-3-5-9-16/h6-7,10,14,17H,3-5,8-9H2,1-2H3
InChIKeyITRLVVKTHRNGDT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-2-yl)pyrrolidine;methanesulfonic acid
CID 88801638
2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol
CID 15160990
1-[3,3-dimethyl-2-(4-methylpiperazin-1-yl)-2H-1-benzofuran-5-yl]ethanesulfonic acid
CID 150976053
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
(1S,9R,12R)-11-methyl-8-oxa-11-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-4-ol
CID 12048050
8-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 86154069
(1S,9R,12R)-4-hydroxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one
CID 13005865
1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone
CID 101374742
(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54496451
1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436194
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
CID 10220538
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
CID 82959521

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol?
The IUPAC name of 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol (CID 13084823) is 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol.
What is the SMILES notation for 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol?
The canonical SMILES for 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol is CC1(C)c2cc(O)ccc2OC1N1CCCCC1.
What is the InChIKey of 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol?
The InChIKey is ITRLVVKTHRNGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)12-10-11(17)6-7-13(12)18-14(15)16-8-4-3-5-9-16/h6-7,10,14,17H,3-5,8-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol?
3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol has a molecular weight of 247.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol is sourced from PubChem (CID 13084823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).