2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

C22H30N2O3 — CID 93233467

About 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 93233467) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 93233467
• Molecular Formula: C22H30N2O3
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.23
• IUPAC Name: 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: COc1ccccc1/C=C/CN1CCN(Cc2ccc(C)o2)[C@H](CCO)C1
• InChI: InChI=1S/C22H30N2O3/c1-18-9-10-21(27-18)17-24-14-13-23(16-20(24)11-15-25)12-5-7-19-6-3-4-8-22(19)26-2/h3-10,20,25H,11-17H2,1-2H3/b7-5+/t20-/m1/s1
• InChIKey: XOTFKNKNHYNZOM-ZEZYUPADSA-N
• XLogP: 3.18
• TPSA: 49.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 93233467) is 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is COc1ccccc1/C=C/CN1CCN(Cc2ccc(C)o2)[C@H](CCO)C1.

What is the InChIKey of 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is XOTFKNKNHYNZOM-ZEZYUPADSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-18-9-10-21(27-18)17-24-14-13-23(16-20(24)11-15-25)12-5-7-19-6-3-4-8-22(19)26-2/h3-10,20,25H,11-17H2,1-2H3/b7-5+/t20-/m1/s1.

What are the key properties of 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 370.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 93233467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).