2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol

C12H20N2O2 — CID 116860282

IUPAC2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(CO)N2CCN(C)CC2)o1
InChIInChI=1S/C12H20N2O2/c1-10-3-4-12(16-10)11(9-15)14-7-5-13(2)6-8-14/h3-4,11,15H,5-9H2,1-2H3
InChIKeyDSBIRZUOXOKMGM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.87
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol

2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 116860282) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID116860282
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(CO)N2CCN(C)CC2)o1
InChIInChI=1S/C12H20N2O2/c1-10-3-4-12(16-10)11(9-15)14-7-5-13(2)6-8-14/h3-4,11,15H,5-9H2,1-2H3
InChIKeyDSBIRZUOXOKMGM-UHFFFAOYSA-N
XLogP0.87
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 35674097
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 51064468
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860255
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 51628820
1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54860988
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628719
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860268
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
3-chloro-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 51628727

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol (CID 116860282) is 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol is Cc1ccc(C(CO)N2CCN(C)CC2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is DSBIRZUOXOKMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-3-4-12(16-10)11(9-15)14-7-5-13(2)6-8-14/h3-4,11,15H,5-9H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 224.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 116860282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).