4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine

C22H25NO3 — CID 71449868

IUPAC4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine
SMILESCc1c(COCc2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C22H25NO3/c1-16-21(15-24-14-17-6-3-2-4-7-17)26-20-9-5-8-19(22(16)20)25-18-10-12-23-13-11-18/h2-9,18,23H,10-15H2,1H3
InChIKeyHLXLCGZDGHZPHU-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.59
Rot. Bonds6

About 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine

4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine (PubChem CID 71449868) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine.

Molecular Properties

Compound Name4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine
PubChem CID71449868
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine
SMILESCc1c(COCc2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C22H25NO3/c1-16-21(15-24-14-17-6-3-2-4-7-17)26-20-9-5-8-19(22(16)20)25-18-10-12-23-13-11-18/h2-9,18,23H,10-15H2,1H3
InChIKeyHLXLCGZDGHZPHU-UHFFFAOYSA-N
XLogP4.59
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

GE 68
CID 133044
1-tert-Butylamino-3-(dibenzofuran-1-yloxy)-propan-2-ol
CID 23968266
Ethyl 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate
CID 489104
3-Methoxybenzyl 3-Methyl-4-(Piperidin-4-Yloxy)-1-Benzofuran-2-Carboxylate
CID 60210957
Ethyl 4-({(2s)-2-Hydroxy-3-[(1-Methylethyl)amino]propyl}oxy)-3-Methyl-1-Benzofuran-2-Carboxylate
CID 913103
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
CID 73356785
Ethyl 4-(2-hydroxy-3-(isopropylamino)propoxy)-3-methylbenzofuran-2-carboxylate hydrochloride
CID 6602742
Benzyl 3-methyl-4-(4-piperidyloxy)benzofuran-2-carboxylate
CID 71453514
1-[3-Methyl-4-(Piperidin-4-Yloxy)-1-Benzofuran-2-Yl]-3-Phenylpropan-1-One
CID 60210953
Ethyl 4-{3-[(tert-butyl)amino]-2-hydroxypropoxy}-3-methylbenzo[d]furan-2-carboxylate
CID 489106
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
CID 73349178
Ethyl 3-methyl-4-{3-[(methylethyl)amino]propoxy}benzo[d]furan-2-carboxylate
CID 489105

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
The IUPAC name of 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine (CID 71449868) is 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine.
What is the SMILES notation for 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
The canonical SMILES for 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine is Cc1c(COCc2ccccc2)oc2cccc(OC3CCNCC3)c12.
What is the InChIKey of 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
The InChIKey is HLXLCGZDGHZPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16-21(15-24-14-17-6-3-2-4-7-17)26-20-9-5-8-19(22(16)20)25-18-10-12-23-13-11-18/h2-9,18,23H,10-15H2,1H3.
What are the key properties of 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine has a molecular weight of 351.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-2-(phenylmethoxymethyl)-1-benzofuran-4-yl]oxy]piperidine is sourced from PubChem (CID 71449868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).