1-[(4-tert-butylfuran-2-yl)methyl]piperazine

C13H22N2O — CID 58523882

IUPAC1-[(4-tert-butylfuran-2-yl)methyl]piperazine
SMILESCC(C)(C)c1coc(CN2CCNCC2)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-8-12(16-10-11)9-15-6-4-14-5-7-15/h8,10,14H,4-7,9H2,1-3H3
InChIKeyTUYOUSVARDWQCD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.98
Rot. Bonds2

About 1-[(4-tert-butylfuran-2-yl)methyl]piperazine

1-[(4-tert-butylfuran-2-yl)methyl]piperazine (PubChem CID 58523882) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(4-tert-butylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-tert-butylfuran-2-yl)methyl]piperazine
PubChem CID58523882
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(4-tert-butylfuran-2-yl)methyl]piperazine
SMILESCC(C)(C)c1coc(CN2CCNCC2)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-8-12(16-10-11)9-15-6-4-14-5-7-15/h8,10,14H,4-7,9H2,1-3H3
InChIKeyTUYOUSVARDWQCD-UHFFFAOYSA-N
XLogP1.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 62267643
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 96621570
4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
CID 82468370
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(4-tert-butylfuran-2-yl)methyl]piperazine (CID 58523882) is 1-[(4-tert-butylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-tert-butylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-tert-butylfuran-2-yl)methyl]piperazine is CC(C)(C)c1coc(CN2CCNCC2)c1.
What is the InChIKey of 1-[(4-tert-butylfuran-2-yl)methyl]piperazine?
The InChIKey is TUYOUSVARDWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)11-8-12(16-10-11)9-15-6-4-14-5-7-15/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of 1-[(4-tert-butylfuran-2-yl)methyl]piperazine?
1-[(4-tert-butylfuran-2-yl)methyl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 58523882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).