4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol

C20H22N2O2 — CID 46914619

IUPAC4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22N2O2/c23-18-7-5-16(6-8-18)14-21-9-11-22(12-10-21)15-19-13-17-3-1-2-4-20(17)24-19/h1-8,13,23H,9-12,14-15H2
InChIKeyIOJVOAYOVXGJHG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds4

About 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol

4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol (PubChem CID 46914619) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
PubChem CID46914619
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22N2O2/c23-18-7-5-16(6-8-18)14-21-9-11-22(12-10-21)15-19-13-17-3-1-2-4-20(17)24-19/h1-8,13,23H,9-12,14-15H2
InChIKeyIOJVOAYOVXGJHG-UHFFFAOYSA-N
XLogP3.46
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol with MolForge

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Related Compounds

3-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914618
2-(azepan-1-ylmethyl)-1-benzofuran-6-ol
CID 117179274
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 23723439
1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
CID 46914775
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77096737
N-[3-[[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527585
1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
CID 56678761
2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45213908
1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
CID 57395907
(3aR,6aS)-5-(1-benzofuran-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660903
1-(1-benzofuran-2-ylmethyl)-4-(2-chloro-6-methylphenyl)sulfonylpiperazine
CID 6736936

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol (CID 46914619) is 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol is Oc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol?
The InChIKey is IOJVOAYOVXGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-18-7-5-16(6-8-18)14-21-9-11-22(12-10-21)15-19-13-17-3-1-2-4-20(17)24-19/h1-8,13,23H,9-12,14-15H2.
What are the key properties of 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol?
4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol has a molecular weight of 322.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 46914619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).