4-(1-benzofuran-2-yl)-1-ethylpiperidine

C15H19NO — CID 23312291

IUPAC4-(1-benzofuran-2-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cc3ccccc3o2)CC1
InChIInChI=1S/C15H19NO/c1-2-16-9-7-12(8-10-16)15-11-13-5-3-4-6-14(13)17-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNVWJQPPFHCZGBS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.63
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-1-ethylpiperidine

4-(1-benzofuran-2-yl)-1-ethylpiperidine (PubChem CID 23312291) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-ethylpiperidine
PubChem CID23312291
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-(1-benzofuran-2-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cc3ccccc3o2)CC1
InChIInChI=1S/C15H19NO/c1-2-16-9-7-12(8-10-16)15-11-13-5-3-4-6-14(13)17-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNVWJQPPFHCZGBS-UHFFFAOYSA-N
XLogP3.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]-1-propanone
CID 11394346
Racemic 4-(benzo[b]furan-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68993987
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
1-(4-Benzofuran-5-yl-but-3-ynyl)-4-phenyl-1,2,3,6-tetrahydro-pyridine
CID 10782455
1-(Benzofuran-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561205
1-(2-Ethyl-benzofuran-3-yl)-3-piperidin-1-yl-propan-1-one
CID 6603145
3-(Benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9859365
4-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile
CID 10291205
3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane
CID 10398843
3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene
CID 10466231
3-(5-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10729440

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1-ethylpiperidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-ethylpiperidine (CID 23312291) is 4-(1-benzofuran-2-yl)-1-ethylpiperidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-ethylpiperidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-ethylpiperidine is CCN1CCC(c2cc3ccccc3o2)CC1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-ethylpiperidine?
The InChIKey is NVWJQPPFHCZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-16-9-7-12(8-10-16)15-11-13-5-3-4-6-14(13)17-15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-1-ethylpiperidine?
4-(1-benzofuran-2-yl)-1-ethylpiperidine has a molecular weight of 229.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-ethylpiperidine is sourced from PubChem (CID 23312291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).