3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine

C12H26N2O — CID 103016155

IUPAC3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
SMILESCCC1CN(CCC(C)(C)OC)CCN1
InChIInChI=1S/C12H26N2O/c1-5-11-10-14(9-7-13-11)8-6-12(2,3)15-4/h11,13H,5-10H2,1-4H3
InChIKeyJSFZQISGUJPGCC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds5

About 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine

3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine (PubChem CID 103016155) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
PubChem CID103016155
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
SMILESCCC1CN(CCC(C)(C)OC)CCN1
InChIInChI=1S/C12H26N2O/c1-5-11-10-14(9-7-13-11)8-6-12(2,3)15-4/h11,13H,5-10H2,1-4H3
InChIKeyJSFZQISGUJPGCC-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-2-methylpropyl)-3-ethylpiperazine
CID 114944433
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
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CID 64832988
3-ethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64870707
3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 103032483
3-ethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901348
[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
3-(2-chloroethyl)-1-(3-methoxy-3-methylbutyl)pyrrolidine
CID 103037292
3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64871501

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The IUPAC name of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine (CID 103016155) is 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine.
What is the SMILES notation for 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The canonical SMILES for 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine is CCC1CN(CCC(C)(C)OC)CCN1.
What is the InChIKey of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The InChIKey is JSFZQISGUJPGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11-10-14(9-7-13-11)8-6-12(2,3)15-4/h11,13H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine is sourced from PubChem (CID 103016155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).