3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine

C12H20N2O — CID 64952375

IUPAC3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(C)o2)CCN1
InChIInChI=1S/C12H20N2O/c1-3-11-8-14(7-6-13-11)9-12-5-4-10(2)15-12/h4-5,11,13H,3,6-9H2,1-2H3
InChIKeyZZKRWEUQLVUFFD-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.77
Rot. Bonds3

About 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine

3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 64952375) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID64952375
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(C)o2)CCN1
InChIInChI=1S/C12H20N2O/c1-3-11-8-14(7-6-13-11)9-12-5-4-10(2)15-12/h4-5,11,13H,3,6-9H2,1-2H3
InChIKeyZZKRWEUQLVUFFD-UHFFFAOYSA-N
XLogP1.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64953364
(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
CID 3246663
2-[(3-ethylpiperazin-1-yl)methyl]pyrimidine
CID 64831814
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952174
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
CID 65317407
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 62524561
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylpiperazine
CID 64832996
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239457

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine (CID 64952375) is 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine is CCC1CN(Cc2ccc(C)o2)CCN1.
What is the InChIKey of 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is ZZKRWEUQLVUFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11-8-14(7-6-13-11)9-12-5-4-10(2)15-12/h4-5,11,13H,3,6-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 64952375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).