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

C18H30N2O2 — CID 98649182

IUPAC2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(C/C=C/C(C)C)C[C@H]2CCO)o1
InChIInChI=1S/C18H30N2O2/c1-15(2)5-4-9-19-10-11-20(17(13-19)8-12-21)14-18-7-6-16(3)22-18/h4-7,15,17,21H,8-14H2,1-3H3/b5-4+/t17-/m1/s1
InChIKeyVQNGKNUMUABDPR-LAQIPUCWSA-N
MW306.45 g/mol
LogP2.67
Rot. Bonds7

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

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol (PubChem CID 98649182) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
PubChem CID98649182
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(C/C=C/C(C)C)C[C@H]2CCO)o1
InChIInChI=1S/C18H30N2O2/c1-15(2)5-4-9-19-10-11-20(17(13-19)8-12-21)14-18-7-6-16(3)22-18/h4-7,15,17,21H,8-14H2,1-3H3/b5-4+/t17-/m1/s1
InChIKeyVQNGKNUMUABDPR-LAQIPUCWSA-N
XLogP2.67
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
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5-chloro-4-[[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 45228073
1-[4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol (CID 98649182) is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(C/C=C/C(C)C)C[C@H]2CCO)o1.
What is the InChIKey of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is VQNGKNUMUABDPR-LAQIPUCWSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15(2)5-4-9-19-10-11-20(17(13-19)8-12-21)14-18-7-6-16(3)22-18/h4-7,15,17,21H,8-14H2,1-3H3/b5-4+/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol has a molecular weight of 306.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98649182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).