methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate

C12H24N2O2 — CID 62331651

IUPACmethyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
SMILESCNC(CN1CCC(C)CC1C)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-9-5-6-14(10(2)7-9)8-11(13-3)12(15)16-4/h9-11,13H,5-8H2,1-4H3
InChIKeyWCVOVWNGPZQOGL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds4

About methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate

methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate (PubChem CID 62331651) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
PubChem CID62331651
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
SMILESCNC(CN1CCC(C)CC1C)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-9-5-6-14(10(2)7-9)8-11(13-3)12(15)16-4/h9-11,13H,5-8H2,1-4H3
InChIKeyWCVOVWNGPZQOGL-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate (CID 62331651) is methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate is CNC(CN1CCC(C)CC1C)C(=O)OC.
What is the InChIKey of methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate?
The InChIKey is WCVOVWNGPZQOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-5-6-14(10(2)7-9)8-11(13-3)12(15)16-4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate?
methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate is sourced from PubChem (CID 62331651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).