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

C24H30N2O3 — CID 23723735

IUPAC2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1
InChIInChI=1S/C24H30N2O3/c1-2-28-22-9-7-19(8-10-22)16-26-13-12-25(17-21(26)11-14-27)18-23-15-20-5-3-4-6-24(20)29-23/h3-10,15,21,27H,2,11-14,16-18H2,1H3
InChIKeyQVJPVVACHWWQGB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.90
Rot. Bonds8

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

2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723735) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723735
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1
InChIInChI=1S/C24H30N2O3/c1-2-28-22-9-7-19(8-10-22)16-26-13-12-25(17-21(26)11-14-27)18-23-15-20-5-3-4-6-24(20)29-23/h3-10,15,21,27H,2,11-14,16-18H2,1H3
InChIKeyQVJPVVACHWWQGB-UHFFFAOYSA-N
XLogP3.90
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 23723735) is 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol is CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is QVJPVVACHWWQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-28-22-9-7-19(8-10-22)16-26-13-12-25(17-21(26)11-14-27)18-23-15-20-5-3-4-6-24(20)29-23/h3-10,15,21,27H,2,11-14,16-18H2,1H3.
What are the key properties of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 394.52 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).