1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine

C17H22N2O2 — CID 3717638

IUPAC1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3ccc(C)o3)CC2)cc1
InChIInChI=1S/C17H22N2O2/c1-14-3-6-17(21-14)13-18-9-11-19(12-10-18)15-4-7-16(20-2)8-5-15/h3-8H,9-13H2,1-2H3
InChIKeySXYKBZWSOABUBE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine

1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 3717638) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID3717638
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3ccc(C)o3)CC2)cc1
InChIInChI=1S/C17H22N2O2/c1-14-3-6-17(21-14)13-18-9-11-19(12-10-18)15-4-7-16(20-2)8-5-15/h3-8H,9-13H2,1-2H3
InChIKeySXYKBZWSOABUBE-UHFFFAOYSA-N
XLogP2.92
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
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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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ylmethyl)furan-2-yl]methanone
CID 35333195
3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53193651
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine
CID 22762607
2-(4-methoxyphenyl)-1-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 134706431
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 8587506
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine (CID 3717638) is 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine is COc1ccc(N2CCN(Cc3ccc(C)o3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is SXYKBZWSOABUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-3-6-17(21-14)13-18-9-11-19(12-10-18)15-4-7-16(20-2)8-5-15/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine?
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 286.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 3717638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).