2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C18H24N2O2S — CID 45243783

IUPAC2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C/C=C/c2ccco2)CCN1Cc1cccs1
InChIInChI=1S/C18H24N2O2S/c21-11-7-16-14-19(8-1-4-17-5-2-12-22-17)9-10-20(16)15-18-6-3-13-23-18/h1-6,12-13,16,21H,7-11,14-15H2/b4-1+
InChIKeyCFZOFJZRXYLJJL-DAFODLJHSA-N
MW332.47 g/mol
LogP2.92
Rot. Bonds7

About 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45243783) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45243783
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C/C=C/c2ccco2)CCN1Cc1cccs1
InChIInChI=1S/C18H24N2O2S/c21-11-7-16-14-19(8-1-4-17-5-2-12-22-17)9-10-20(16)15-18-6-3-13-23-18/h1-6,12-13,16,21H,7-11,14-15H2/b4-1+
InChIKeyCFZOFJZRXYLJJL-DAFODLJHSA-N
XLogP2.92
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98649458
4-[(E)-3-[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]prop-1-enyl]-2-methoxyphenol
CID 45196811
2-[(2S)-1-(thiophen-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634081
2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29212757
2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51634602
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51907458
2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 95188636
2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 28872070
methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 29217472
1-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 45232287
2-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 45231377
2-[(2S)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29029660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 45243783) is 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(C/C=C/c2ccco2)CCN1Cc1cccs1.
What is the InChIKey of 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is CFZOFJZRXYLJJL-DAFODLJHSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-11-7-16-14-19(8-1-4-17-5-2-12-22-17)9-10-20(16)15-18-6-3-13-23-18/h1-6,12-13,16,21H,7-11,14-15H2/b4-1+.
What are the key properties of 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 332.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45243783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).