1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine

C16H20N2O2 — CID 2838307

IUPAC1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-16-4-2-15(3-5-16)18-9-7-17(8-10-18)12-14-6-11-20-13-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyCJYLDIZZZGTGOE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds4

About 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine

1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine (PubChem CID 2838307) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine
PubChem CID2838307
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-16-4-2-15(3-5-16)18-9-7-17(8-10-18)12-14-6-11-20-13-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyCJYLDIZZZGTGOE-UHFFFAOYSA-N
XLogP2.61
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine (CID 2838307) is 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3ccoc3)CC2)cc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine?
The InChIKey is CJYLDIZZZGTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-16-4-2-15(3-5-16)18-9-7-17(8-10-18)12-14-6-11-20-13-14/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine?
1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine has a molecular weight of 272.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 2838307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).