2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol

C20H26N2O3 — CID 3065079

IUPAC2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(O)c(CN3CCN(CCO)CC3)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-19-5-2-16(3-6-19)17-4-7-20(24)18(14-17)15-22-10-8-21(9-11-22)12-13-23/h2-7,14,23-24H,8-13,15H2,1H3
InChIKeyJFPWAHLELIUHCD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.18
Rot. Bonds6

About 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol

2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol (PubChem CID 3065079) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol
PubChem CID3065079
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(O)c(CN3CCN(CCO)CC3)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-19-5-2-16(3-6-19)17-4-7-20(24)18(14-17)15-22-10-8-21(9-11-22)12-13-23/h2-7,14,23-24H,8-13,15H2,1H3
InChIKeyJFPWAHLELIUHCD-UHFFFAOYSA-N
XLogP2.18
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol?
The IUPAC name of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol (CID 3065079) is 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol is COc1ccc(-c2ccc(O)c(CN3CCN(CCO)CC3)c2)cc1.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol?
The InChIKey is JFPWAHLELIUHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-19-5-2-16(3-6-19)17-4-7-20(24)18(14-17)15-22-10-8-21(9-11-22)12-13-23/h2-7,14,23-24H,8-13,15H2,1H3.
What are the key properties of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol?
2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol has a molecular weight of 342.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol is sourced from PubChem (CID 3065079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).