4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine

C15H21NO — CID 123608868

IUPAC4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cccc3c2CCO3)CC1
InChIInChI=1S/C15H21NO/c1-2-16-9-6-12(7-10-16)13-4-3-5-15-14(13)8-11-17-15/h3-5,12H,2,6-11H2,1H3
InChIKeyASDPKAOLAAPAPO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine

4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine (PubChem CID 123608868) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
PubChem CID123608868
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cccc3c2CCO3)CC1
InChIInChI=1S/C15H21NO/c1-2-16-9-6-12(7-10-16)13-4-3-5-15-14(13)8-11-17-15/h3-5,12H,2,6-11H2,1H3
InChIKeyASDPKAOLAAPAPO-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine (CID 123608868) is 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine is CCN1CCC(c2cccc3c2CCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine?
The InChIKey is ASDPKAOLAAPAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-16-9-6-12(7-10-16)13-4-3-5-15-14(13)8-11-17-15/h3-5,12H,2,6-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine?
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine has a molecular weight of 231.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine is sourced from PubChem (CID 123608868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).