methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate

C11H22N2O2 — CID 43398397

IUPACmethyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate
SMILESCCN1CCN(CC(C)C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-12-5-7-13(8-6-12)9-10(2)11(14)15-3/h10H,4-9H2,1-3H3
InChIKeyDPIOHHAJLXGGTA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.43
Rot. Bonds4

About methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate

methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate (PubChem CID 43398397) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate
PubChem CID43398397
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate
SMILESCCN1CCN(CC(C)C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-12-5-7-13(8-6-12)9-10(2)11(14)15-3/h10H,4-9H2,1-3H3
InChIKeyDPIOHHAJLXGGTA-UHFFFAOYSA-N
XLogP0.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate (CID 43398397) is methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate is CCN1CCN(CC(C)C(=O)OC)CC1.
What is the InChIKey of methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate?
The InChIKey is DPIOHHAJLXGGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-5-7-13(8-6-12)9-10(2)11(14)15-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate?
methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylpiperazin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 43398397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).