4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol

C13H16N2O2 — CID 96806763

IUPAC4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
SMILESOc1ccc(CN2CCNCC2)c2ccoc12
InChIInChI=1S/C13H16N2O2/c16-12-2-1-10(11-3-8-17-13(11)12)9-15-6-4-14-5-7-15/h1-3,8,14,16H,4-7,9H2
InChIKeySEPNKCCUCDNKBR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.54
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol

4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol (PubChem CID 96806763) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
PubChem CID96806763
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
SMILESOc1ccc(CN2CCNCC2)c2ccoc12
InChIInChI=1S/C13H16N2O2/c16-12-2-1-10(11-3-8-17-13(11)12)9-15-6-4-14-5-7-15/h1-3,8,14,16H,4-7,9H2
InChIKeySEPNKCCUCDNKBR-UHFFFAOYSA-N
XLogP1.54
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
8-(piperazin-1-ylmethyl)furo[2,3-f][1]benzofuran-4-ol
CID 117433511
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
CID 117177562
3-chloro-6-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117358874
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
2-[[8-[(2,5-dihydroxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzene-1,4-diol
CID 170349898
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
CID 61057832
[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol
CID 82508549
3-fluoro-2-methylsulfonyl-4-(piperazin-1-ylmethyl)phenol
CID 117465784

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol?
The IUPAC name of 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol (CID 96806763) is 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol is Oc1ccc(CN2CCNCC2)c2ccoc12.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol?
The InChIKey is SEPNKCCUCDNKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-2-1-10(11-3-8-17-13(11)12)9-15-6-4-14-5-7-15/h1-3,8,14,16H,4-7,9H2.
What are the key properties of 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol?
4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol has a molecular weight of 232.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol is sourced from PubChem (CID 96806763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).