methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate

C12H24N2O2 — CID 63609412

IUPACmethyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
SMILESCCC1CN(C(C)CC(=O)OC)CCN1C
InChIInChI=1S/C12H24N2O2/c1-5-11-9-14(7-6-13(11)3)10(2)8-12(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyYTPTWHFZUXWSHG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds4

About methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate

methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate (PubChem CID 63609412) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
PubChem CID63609412
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
SMILESCCC1CN(C(C)CC(=O)OC)CCN1C
InChIInChI=1S/C12H24N2O2/c1-5-11-9-14(7-6-13(11)3)10(2)8-12(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyYTPTWHFZUXWSHG-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate?
The IUPAC name of methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate (CID 63609412) is methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate?
The canonical SMILES for methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate is CCC1CN(C(C)CC(=O)OC)CCN1C.
What is the InChIKey of methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate?
The InChIKey is YTPTWHFZUXWSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-11-9-14(7-6-13(11)3)10(2)8-12(15)16-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate?
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate has a molecular weight of 228.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate is sourced from PubChem (CID 63609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).