3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol

C13H16N2O2 — CID 117177562

IUPAC3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
SMILESOc1ccc2c(CN3CCNCC3)coc2c1
InChIInChI=1S/C13H16N2O2/c16-11-1-2-12-10(9-17-13(12)7-11)8-15-5-3-14-4-6-15/h1-2,7,9,14,16H,3-6,8H2
InChIKeyCUXAPBFWJVRHOT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.54
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol

3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol (PubChem CID 117177562) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
PubChem CID117177562
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
SMILESOc1ccc2c(CN3CCNCC3)coc2c1
InChIInChI=1S/C13H16N2O2/c16-11-1-2-12-10(9-17-13(12)7-11)8-15-5-3-14-4-6-15/h1-2,7,9,14,16H,3-6,8H2
InChIKeyCUXAPBFWJVRHOT-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

3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol
CID 70831939
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
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
4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 27215307
3-(2-hydroxy-2-methylpropyl)-1-benzofuran-6-ol
CID 117121794
6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
CID 11978440
N-[4-hydroxy-2-(piperazin-1-ylmethyl)phenyl]formamide
CID 82510499
4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
CID 96806763
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
2-(6-hydroxy-1-benzofuran-3-yl)acetohydrazide
CID 165437933
7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 174862975

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol (CID 117177562) is 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol is Oc1ccc2c(CN3CCNCC3)coc2c1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol?
The InChIKey is CUXAPBFWJVRHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-1-2-12-10(9-17-13(12)7-11)8-15-5-3-14-4-6-15/h1-2,7,9,14,16H,3-6,8H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol?
3-(piperazin-1-ylmethyl)-1-benzofuran-6-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 3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol is sourced from PubChem (CID 117177562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).