1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine

C23H26N2O2 — CID 18918753

IUPAC1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine
SMILESCOc1cc2ccoc2cc1N1CCN(CC2Cc3ccccc3C2)CC1
InChIInChI=1S/C23H26N2O2/c1-26-23-14-20-6-11-27-22(20)15-21(23)25-9-7-24(8-10-25)16-17-12-18-4-2-3-5-19(18)13-17/h2-6,11,14-15,17H,7-10,12-13,16H2,1H3
InChIKeyROIGVCWGIQKWLM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine

1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine (PubChem CID 18918753) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine
PubChem CID18918753
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine
SMILESCOc1cc2ccoc2cc1N1CCN(CC2Cc3ccccc3C2)CC1
InChIInChI=1S/C23H26N2O2/c1-26-23-14-20-6-11-27-22(20)15-21(23)25-9-7-24(8-10-25)16-17-12-18-4-2-3-5-19(18)13-17/h2-6,11,14-15,17H,7-10,12-13,16H2,1H3
InChIKeyROIGVCWGIQKWLM-UHFFFAOYSA-N
XLogP3.98
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine
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1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
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CID 155521817
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine
CID 171429427
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
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1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 176932959
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine (CID 18918753) is 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine is COc1cc2ccoc2cc1N1CCN(CC2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine?
The InChIKey is ROIGVCWGIQKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-23-14-20-6-11-27-22(20)15-21(23)25-9-7-24(8-10-25)16-17-12-18-4-2-3-5-19(18)13-17/h2-6,11,14-15,17H,7-10,12-13,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine?
1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine has a molecular weight of 362.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine is sourced from PubChem (CID 18918753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).