2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

C20H24N2O2S — CID 45213908

IUPAC2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc3ccccc3o2)CCN1Cc1ccsc1
InChIInChI=1S/C20H24N2O2S/c23-9-5-18-13-21(7-8-22(18)12-16-6-10-25-15-16)14-19-11-17-3-1-2-4-20(17)24-19/h1-4,6,10-11,15,18,23H,5,7-9,12-14H2
InChIKeyWPMVPBJPKRZYIV-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.56
Rot. Bonds6

About 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45213908) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45213908
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc3ccccc3o2)CCN1Cc1ccsc1
InChIInChI=1S/C20H24N2O2S/c23-9-5-18-13-21(7-8-22(18)12-16-6-10-25-15-16)14-19-11-17-3-1-2-4-20(17)24-19/h1-4,6,10-11,15,18,23H,5,7-9,12-14H2
InChIKeyWPMVPBJPKRZYIV-UHFFFAOYSA-N
XLogP3.56
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51634602
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 23723439
2-[(2S)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634112
2-[(2R)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 100579221
2-[(2S)-1-(thiophen-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634081
2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45186034
2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51630860
4-chloro-2-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phenol
CID 45187791
2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 30852132
3-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 30733320
2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 28958065
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 126460832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (CID 45213908) is 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2cc3ccccc3o2)CCN1Cc1ccsc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is WPMVPBJPKRZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-9-5-18-13-21(7-8-22(18)12-16-6-10-25-15-16)14-19-11-17-3-1-2-4-20(17)24-19/h1-4,6,10-11,15,18,23H,5,7-9,12-14H2.
What are the key properties of 2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
2-[4-(1-benzofuran-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 356.49 g/mol, XLogP of 3.56, 6 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-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45213908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).