(1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate

C11H22N2O2 — CID 58013215

IUPAC(1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(12-2)11(14)15-8-10-4-6-13(3)7-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyGPBOTXULMNYQLP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds4

About (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate

(1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate (PubChem CID 58013215) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate
PubChem CID58013215
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(12-2)11(14)15-8-10-4-6-13(3)7-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyGPBOTXULMNYQLP-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate (CID 58013215) is (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate is CNC(C)C(=O)OCC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate?
The InChIKey is GPBOTXULMNYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12-2)11(14)15-8-10-4-6-13(3)7-5-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate?
(1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 2-(methylamino)propanoate is sourced from PubChem (CID 58013215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).