1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol

C17H25NO3 — CID 110882083

IUPAC1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol
SMILESCCOc1cc2c(cc1CN1CCCC(O)C1)OC(C)C2
InChIInChI=1S/C17H25NO3/c1-3-20-16-8-13-7-12(2)21-17(13)9-14(16)10-18-6-4-5-15(19)11-18/h8-9,12,15,19H,3-7,10-11H2,1-2H3
InChIKeyCYUBZXVXKAEGOM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.37
Rot. Bonds4

About 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol (PubChem CID 110882083) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol
PubChem CID110882083
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol
SMILESCCOc1cc2c(cc1CN1CCCC(O)C1)OC(C)C2
InChIInChI=1S/C17H25NO3/c1-3-20-16-8-13-7-12(2)21-17(13)9-14(16)10-18-6-4-5-15(19)11-18/h8-9,12,15,19H,3-7,10-11H2,1-2H3
InChIKeyCYUBZXVXKAEGOM-UHFFFAOYSA-N
XLogP2.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine
CID 126772238
1-[4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperazin-1-yl]ethanone
CID 95348368
2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 78827696
2-[1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-4-yl]acetamide
CID 129370811
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 78860974
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol
CID 110878800
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115349914
1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide
CID 60579414
2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol
CID 95282721
2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]guanidine;hydroiodide
CID 110884474
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61461754

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol (CID 110882083) is 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol is CCOc1cc2c(cc1CN1CCCC(O)C1)OC(C)C2.
What is the InChIKey of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol?
The InChIKey is CYUBZXVXKAEGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-16-8-13-7-12(2)21-17(13)9-14(16)10-18-6-4-5-15(19)11-18/h8-9,12,15,19H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol?
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol has a molecular weight of 291.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 110882083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).