5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine

C15H26N2O — CID 64947660

IUPAC5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
SMILESCCC1CN(C(C)CCc2ccco2)C(C)CN1
InChIInChI=1S/C15H26N2O/c1-4-14-11-17(13(3)10-16-14)12(2)7-8-15-6-5-9-18-15/h5-6,9,12-14,16H,4,7-8,10-11H2,1-3H3
InChIKeyJKVKXZONSCVOKV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.67
Rot. Bonds5

About 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine

5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine (PubChem CID 64947660) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
PubChem CID64947660
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
SMILESCCC1CN(C(C)CCc2ccco2)C(C)CN1
InChIInChI=1S/C15H26N2O/c1-4-14-11-17(13(3)10-16-14)12(2)7-8-15-6-5-9-18-15/h5-6,9,12-14,16H,4,7-8,10-11H2,1-3H3
InChIKeyJKVKXZONSCVOKV-UHFFFAOYSA-N
XLogP2.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64947852
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64932402
1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-yl-5-propylpiperazine
CID 64947776
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
2-(3-methylhexyl)furan
CID 12840321
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine?
The IUPAC name of 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine (CID 64947660) is 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine.
What is the SMILES notation for 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine?
The canonical SMILES for 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine is CCC1CN(C(C)CCc2ccco2)C(C)CN1.
What is the InChIKey of 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine?
The InChIKey is JKVKXZONSCVOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14-11-17(13(3)10-16-14)12(2)7-8-15-6-5-9-18-15/h5-6,9,12-14,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine?
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine is sourced from PubChem (CID 64947660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).