4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine

C16H23NO2 — CID 63156343

IUPAC4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
SMILESCCOc1cc2c(cc1C1CCNCC1)OC(C)C2
InChIInChI=1S/C16H23NO2/c1-3-18-16-9-13-8-11(2)19-15(13)10-14(16)12-4-6-17-7-5-12/h9-12,17H,3-8H2,1-2H3
InChIKeyFLQWIEPOIQTNET-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.88
Rot. Bonds3

About 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine

4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine (PubChem CID 63156343) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine.

Molecular Properties

Compound Name4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
PubChem CID63156343
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
SMILESCCOc1cc2c(cc1C1CCNCC1)OC(C)C2
InChIInChI=1S/C16H23NO2/c1-3-18-16-9-13-8-11(2)19-15(13)10-14(16)12-4-6-17-7-5-12/h9-12,17H,3-8H2,1-2H3
InChIKeyFLQWIEPOIQTNET-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
CID 16783888
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5,5-dimethylpyrrolidin-2-one
CID 66107409
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379
2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one
CID 82996620
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
(NZ)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine
CID 94671581
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135632918
2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine?
The IUPAC name of 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine (CID 63156343) is 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine.
What is the SMILES notation for 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine?
The canonical SMILES for 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine is CCOc1cc2c(cc1C1CCNCC1)OC(C)C2.
What is the InChIKey of 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine?
The InChIKey is FLQWIEPOIQTNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-18-16-9-13-8-11(2)19-15(13)10-14(16)12-4-6-17-7-5-12/h9-12,17H,3-8H2,1-2H3.
What are the key properties of 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine?
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine has a molecular weight of 261.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine is sourced from PubChem (CID 63156343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).