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

C19H26N2O3 — CID 98649458

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

2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 98649458) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 98649458
• Molecular Formula: C19H26N2O3
• Molecular Weight: 330.43 g/mol
• Exact Mass: 330.19
• IUPAC Name: 2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: Cc1ccc(CN2CCN(C/C=C/c3ccco3)C[C@H]2CCO)o1
• InChI: InChI=1S/C19H26N2O3/c1-16-6-7-19(24-16)15-21-11-10-20(14-17(21)8-12-22)9-2-4-18-5-3-13-23-18/h2-7,13,17,22H,8-12,14-15H2,1H3/b4-2+/t17-/m1/s1
• InChIKey: VIZMSSQKZKWAMN-NKEDHYFDSA-N
• XLogP: 2.76
• TPSA: 52.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.43
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 98649458) is 2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

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

The canonical SMILES for 2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(C/C=C/c3ccco3)C[C@H]2CCO)o1.

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

The InChIKey is VIZMSSQKZKWAMN-NKEDHYFDSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-16-6-7-19(24-16)15-21-11-10-20(14-17(21)8-12-22)9-2-4-18-5-3-13-23-18/h2-7,13,17,22H,8-12,14-15H2,1H3/b4-2+/t17-/m1/s1.

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

2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 330.43 g/mol, XLogP of 2.76, 7 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-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98649458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).