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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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).