2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol

C22H32N2O5 — CID 45238988

About 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 45238988) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
• PubChem CID: 45238988
• Molecular Formula: C22H32N2O5
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.23
• IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
• SMILES: COCc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)C(CCO)C2)o1
• InChI: InChI=1S/C22H32N2O5/c1-26-16-20-5-4-19(29-20)15-23-7-8-24(18(14-23)6-9-25)13-17-10-21(27-2)12-22(11-17)28-3/h4-5,10-12,18,25H,6-9,13-16H2,1-3H3
• InChIKey: WGPRBJGDMCRWHN-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 67.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol (CID 45238988) is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol is COCc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)C(CCO)C2)o1.

What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?

The InChIKey is WGPRBJGDMCRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-26-16-20-5-4-19(29-20)15-23-7-8-24(18(14-23)6-9-25)13-17-10-21(27-2)12-22(11-17)28-3/h4-5,10-12,18,25H,6-9,13-16H2,1-3H3.

What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol?

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 404.51 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45238988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).