2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol

C20H28N2O3 — CID 126460832

IUPAC2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
SMILESCOCc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)o1
InChIInChI=1S/C20H28N2O3/c1-24-16-20-8-7-19(25-20)15-21-10-11-22(18(14-21)9-12-23)13-17-5-3-2-4-6-17/h2-8,18,23H,9-16H2,1H3
InChIKeyPNXMMNLLXDMMGD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.49
Rot. Bonds8

About 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol

2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 126460832) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
PubChem CID126460832
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
SMILESCOCc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)o1
InChIInChI=1S/C20H28N2O3/c1-24-16-20-8-7-19(25-20)15-21-10-11-22(18(14-21)9-12-23)13-17-5-3-2-4-6-17/h2-8,18,23H,9-16H2,1H3
InChIKeyPNXMMNLLXDMMGD-UHFFFAOYSA-N
XLogP2.49
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45238988
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 51906840
2-[1-cyclopentyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45252016
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45212256
2-[(2S)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634112
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[[4-benzyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 45180634
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45217777
2-[4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 23723439
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 28739225

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol (CID 126460832) is 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol is COCc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)o1.
What is the InChIKey of 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is PNXMMNLLXDMMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-16-20-8-7-19(25-20)15-21-10-11-22(18(14-21)9-12-23)13-17-5-3-2-4-6-17/h2-8,18,23H,9-16H2,1H3.
What are the key properties of 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 126460832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).