1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine

C13H22N2O2 — CID 59674724

IUPAC1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine
SMILESCC(C)(C)OCC1CNCCN1c1ccoc1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)17-10-12-8-14-5-6-15(12)11-4-7-16-9-11/h4,7,9,12,14H,5-6,8,10H2,1-3H3
InChIKeyWJYXCOVHHKYCFM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds3

About 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine

1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine (PubChem CID 59674724) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine
PubChem CID59674724
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine
SMILESCC(C)(C)OCC1CNCCN1c1ccoc1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)17-10-12-8-14-5-6-15(12)11-4-7-16-9-11/h4,7,9,12,14H,5-6,8,10H2,1-3H3
InChIKeyWJYXCOVHHKYCFM-UHFFFAOYSA-N
XLogP1.87
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Furan-3-yl)morpholine
CID 12009355
3-Furylalanine
CID 22875442
3-Furylaminobutyric acid
CID 68798095
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N,N-diethylfuran-3-amine
CID 12009356
N-butylfuran-3-amine
CID 12009357
1-(Furan-3-yl)pyridin-4-one
CID 19788565
alpha-(3-Furyl)aminoacetonitrile
CID 19891029
1-(furan-3-yl)-4H-pyridine
CID 20037028
1-(Furan-3-yl)-3-(methylamino)azepan-2-one
CID 20589723
1-(Furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one
CID 20589729
1-(Furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one
CID 20589731

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine?
The IUPAC name of 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine (CID 59674724) is 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine.
What is the SMILES notation for 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine?
The canonical SMILES for 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine is CC(C)(C)OCC1CNCCN1c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine?
The InChIKey is WJYXCOVHHKYCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)17-10-12-8-14-5-6-15(12)11-4-7-16-9-11/h4,7,9,12,14H,5-6,8,10H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine?
1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine has a molecular weight of 238.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine is sourced from PubChem (CID 59674724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).