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

C13H22N2O — CID 116931969

IUPAC1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
SMILESCc1ccc(CCC(C)N2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-11(15-9-7-14-8-10-15)3-5-13-6-4-12(2)16-13/h4,6,11,14H,3,5,7-10H2,1-2H3
InChIKeyHWDIVSWWACJSLS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.81
Rot. Bonds4

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

1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine (PubChem CID 116931969) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
PubChem CID116931969
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
SMILESCc1ccc(CCC(C)N2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-11(15-9-7-14-8-10-15)3-5-13-6-4-12(2)16-13/h4,6,11,14H,3,5,7-10H2,1-2H3
InChIKeyHWDIVSWWACJSLS-UHFFFAOYSA-N
XLogP1.81
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255770
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
CID 116931937
2-amino-5-(3-piperazin-1-ylbutyl)benzenethiol
CID 116998469
1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
CID 116931963
1-[(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butyl]piperazine
CID 171303028
1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine
CID 171281728
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 80551355

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine?
The IUPAC name of 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine (CID 116931969) is 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine?
The canonical SMILES for 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine is Cc1ccc(CCC(C)N2CCNCC2)o1.
What is the InChIKey of 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine?
The InChIKey is HWDIVSWWACJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(15-9-7-14-8-10-15)3-5-13-6-4-12(2)16-13/h4,6,11,14H,3,5,7-10H2,1-2H3.
What are the key properties of 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine?
1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine is sourced from PubChem (CID 116931969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).