1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine

C18H32N2O — CID 64936619

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine
SMILESCc1cc(C(C)N2CC(C(C)C)NCC2C(C)C)c(C)o1
InChIInChI=1S/C18H32N2O/c1-11(2)17-10-20(18(9-19-17)12(3)4)14(6)16-8-13(5)21-15(16)7/h8,11-12,14,17-19H,9-10H2,1-7H3
InChIKeyMCKLPKDRQJXHIK-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.91
Rot. Bonds4

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine (PubChem CID 64936619) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine
PubChem CID64936619
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine
SMILESCc1cc(C(C)N2CC(C(C)C)NCC2C(C)C)c(C)o1
InChIInChI=1S/C18H32N2O/c1-11(2)17-10-20(18(9-19-17)12(3)4)14(6)16-8-13(5)21-15(16)7/h8,11-12,14,17-19H,9-10H2,1-7H3
InChIKeyMCKLPKDRQJXHIK-UHFFFAOYSA-N
XLogP3.91
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389954
1-(3,3-dimethylbutan-2-yl)-2,5-di(propan-2-yl)piperazine
CID 104830217
5-cyclopropyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethylpiperazine
CID 64946933
3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine
CID 64952136
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
3-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313815
2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine
CID 79246934
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64948573
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676
N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
CID 79741678
5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947427

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine (CID 64936619) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine is Cc1cc(C(C)N2CC(C(C)C)NCC2C(C)C)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine?
The InChIKey is MCKLPKDRQJXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-11(2)17-10-20(18(9-19-17)12(3)4)14(6)16-8-13(5)21-15(16)7/h8,11-12,14,17-19H,9-10H2,1-7H3.
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine has a molecular weight of 292.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64936619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).