1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine

C17H22N2O — CID 22762590

IUPAC1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3cc(C)co3)CC2)cc1
InChIInChI=1S/C17H22N2O/c1-14-3-5-16(6-4-14)19-9-7-18(8-10-19)12-17-11-15(2)13-20-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyNHXYNBSSXCYFSZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds3

About 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine

1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine (PubChem CID 22762590) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine
PubChem CID22762590
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3cc(C)co3)CC2)cc1
InChIInChI=1S/C17H22N2O/c1-14-3-5-16(6-4-14)19-9-7-18(8-10-19)12-17-11-15(2)13-20-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyNHXYNBSSXCYFSZ-UHFFFAOYSA-N
XLogP3.22
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine (CID 22762590) is 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(Cc3cc(C)co3)CC2)cc1.
What is the InChIKey of 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine?
The InChIKey is NHXYNBSSXCYFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-3-5-16(6-4-14)19-9-7-18(8-10-19)12-17-11-15(2)13-20-17/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine?
1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine has a molecular weight of 270.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 22762590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).