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

C11H22N2O2 — CID 59359886

IUPACmethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate
SMILESCOC(=O)CNCCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-7-4-10(5-8-13)3-6-12-9-11(14)15-2/h10,12H,3-9H2,1-2H3
InChIKeyXQBJAINLWDVUFM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds5

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

methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate (PubChem CID 59359886) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate
PubChem CID59359886
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate
SMILESCOC(=O)CNCCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-7-4-10(5-8-13)3-6-12-9-11(14)15-2/h10,12H,3-9H2,1-2H3
InChIKeyXQBJAINLWDVUFM-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methylpiperidin-4-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate (CID 59359886) is methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate is COC(=O)CNCCC1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate?
The InChIKey is XQBJAINLWDVUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-7-4-10(5-8-13)3-6-12-9-11(14)15-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate?
methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]acetate is sourced from PubChem (CID 59359886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).