2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

C24H30N2O3 — CID 23723411

IUPAC2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1C
InChIInChI=1S/C24H30N2O3/c1-18-13-19(7-8-23(18)28-2)15-26-11-10-25(16-21(26)9-12-27)17-22-14-20-5-3-4-6-24(20)29-22/h3-8,13-14,21,27H,9-12,15-17H2,1-2H3
InChIKeyOXSAXGFIKJIDAD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.82
Rot. Bonds7

About 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723411) 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-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723411
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1C
InChIInChI=1S/C24H30N2O3/c1-18-13-19(7-8-23(18)28-2)15-26-11-10-25(16-21(26)9-12-27)17-22-14-20-5-3-4-6-24(20)29-22/h3-8,13-14,21,27H,9-12,15-17H2,1-2H3
InChIKeyOXSAXGFIKJIDAD-UHFFFAOYSA-N
XLogP3.82
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.82
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-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 23723411) is 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1C.
What is the InChIKey of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is OXSAXGFIKJIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-13-19(7-8-23(18)28-2)15-26-11-10-25(16-21(26)9-12-27)17-22-14-20-5-3-4-6-24(20)29-22/h3-8,13-14,21,27H,9-12,15-17H2,1-2H3.
What are the key properties of 2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 394.52 g/mol, XLogP of 3.82, 7 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-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).