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2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

C22H32N2O3 — CID 45252298

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3ccc(C)o3)CC2CCO)c(C)c1C
InChIInChI=1S/C22H32N2O3/c1-16-5-7-21(27-16)15-23-10-11-24(20(14-23)9-12-25)13-19-6-8-22(26-4)18(3)17(19)2/h5-8,20,25H,9-15H2,1-4H3
InChIKeyMIXHQRMZUJDQGJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.28
Rot. Bonds7

About 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45252298) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45252298
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3ccc(C)o3)CC2CCO)c(C)c1C
InChIInChI=1S/C22H32N2O3/c1-16-5-7-21(27-16)15-23-10-11-24(20(14-23)9-12-25)13-19-6-8-22(26-4)18(3)17(19)2/h5-8,20,25H,9-15H2,1-4H3
InChIKeyMIXHQRMZUJDQGJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 45252298) is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3ccc(C)o3)CC2CCO)c(C)c1C.
What is the InChIKey of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is MIXHQRMZUJDQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16-5-7-21(27-16)15-23-10-11-24(20(14-23)9-12-25)13-19-6-8-22(26-4)18(3)17(19)2/h5-8,20,25H,9-15H2,1-4H3.
What are the key properties of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 372.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45252298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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