3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine

C16H28N2O — CID 64952136

IUPAC3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine
SMILESCc1cc(C(C)N2CCNC(C(C)(C)C)C2)c(C)o1
InChIInChI=1S/C16H28N2O/c1-11-9-14(13(3)19-11)12(2)18-8-7-17-15(10-18)16(4,5)6/h9,12,15,17H,7-8,10H2,1-6H3
InChIKeyOKPUYYSBOYOADO-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.28
Rot. Bonds2

About 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine

3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine (PubChem CID 64952136) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine
PubChem CID64952136
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine
SMILESCc1cc(C(C)N2CCNC(C(C)(C)C)C2)c(C)o1
InChIInChI=1S/C16H28N2O/c1-11-9-14(13(3)19-11)12(2)18-8-7-17-15(10-18)16(4,5)6/h9,12,15,17H,7-8,10H2,1-6H3
InChIKeyOKPUYYSBOYOADO-UHFFFAOYSA-N
XLogP3.28
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313815
3-tert-butyl-1-[1-(4-chlorophenyl)ethyl]piperazine
CID 64926136
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine
CID 64951935
3-tert-butyl-1-[1-(2-chlorophenyl)ethyl]-1,4-diazepane
CID 64944023
1-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61205990
3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine
CID 64952508
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64936619
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606610
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
1-(4-bromo-3,5-dimethylphenyl)-3-tert-butylpiperazine
CID 107579910
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
(3S)-3-tert-butyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 58665831

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine (CID 64952136) is 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine is Cc1cc(C(C)N2CCNC(C(C)(C)C)C2)c(C)o1.
What is the InChIKey of 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine?
The InChIKey is OKPUYYSBOYOADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-9-14(13(3)19-11)12(2)18-8-7-17-15(10-18)16(4,5)6/h9,12,15,17H,7-8,10H2,1-6H3.
What are the key properties of 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine?
3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine has a molecular weight of 264.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine is sourced from PubChem (CID 64952136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).