1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine

C14H22N2O2 — CID 116874177

IUPAC1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine
SMILESCc1ccc(C2(CC3CNCCN3C)COC2)o1
InChIInChI=1S/C14H22N2O2/c1-11-3-4-13(18-11)14(9-17-10-14)7-12-8-15-5-6-16(12)2/h3-4,12,15H,5-10H2,1-2H3
InChIKeyQMEFLPKSZRXSLZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.15
Rot. Bonds3

About 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine

1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine (PubChem CID 116874177) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine
PubChem CID116874177
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine
SMILESCc1ccc(C2(CC3CNCCN3C)COC2)o1
InChIInChI=1S/C14H22N2O2/c1-11-3-4-13(18-11)14(9-17-10-14)7-12-8-15-5-6-16(12)2/h3-4,12,15H,5-10H2,1-2H3
InChIKeyQMEFLPKSZRXSLZ-UHFFFAOYSA-N
XLogP1.15
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine?
The IUPAC name of 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine (CID 116874177) is 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine is Cc1ccc(C2(CC3CNCCN3C)COC2)o1.
What is the InChIKey of 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine?
The InChIKey is QMEFLPKSZRXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-3-4-13(18-11)14(9-17-10-14)7-12-8-15-5-6-16(12)2/h3-4,12,15H,5-10H2,1-2H3.
What are the key properties of 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine?
1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine has a molecular weight of 250.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine is sourced from PubChem (CID 116874177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).