4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine

C23H27NO — CID 12741879

IUPAC4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine
SMILESCCc1oc2ccccc2c1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H27NO/c1-2-21-23(20-10-6-7-11-22(20)25-21)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyQSSIOXLLWCWBMX-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.42
Rot. Bonds5

About 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine

4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine (PubChem CID 12741879) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine
PubChem CID12741879
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine
SMILESCCc1oc2ccccc2c1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H27NO/c1-2-21-23(20-10-6-7-11-22(20)25-21)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyQSSIOXLLWCWBMX-UHFFFAOYSA-N
XLogP5.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine (CID 12741879) is 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine is CCc1oc2ccccc2c1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine?
The InChIKey is QSSIOXLLWCWBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-2-21-23(20-10-6-7-11-22(20)25-21)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3.
What are the key properties of 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine?
4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine has a molecular weight of 333.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 12741879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).