methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate

C10H21N3O2 — CID 82889193

IUPACmethyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate
SMILESCOC(=O)CNCCN1CCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-12-5-7-13(8-6-12)4-3-11-9-10(14)15-2/h11H,3-9H2,1-2H3
InChIKeyHOIJEFUAGLMIGM-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.00
Rot. Bonds5

About methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate

methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate (PubChem CID 82889193) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate
PubChem CID82889193
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namemethyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate
SMILESCOC(=O)CNCCN1CCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-12-5-7-13(8-6-12)4-3-11-9-10(14)15-2/h11H,3-9H2,1-2H3
InChIKeyHOIJEFUAGLMIGM-UHFFFAOYSA-N
XLogP-1.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate (CID 82889193) is methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate is COC(=O)CNCCN1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate?
The InChIKey is HOIJEFUAGLMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12-5-7-13(8-6-12)4-3-11-9-10(14)15-2/h11H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate?
methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate has a molecular weight of 215.30 g/mol, XLogP of -1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylpiperazin-1-yl)ethylamino]acetate is sourced from PubChem (CID 82889193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).