methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate

C12H24N2O2 — CID 83021227

IUPACmethyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNN1C(C)CCCC1C
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16-4)8-13-14-10(2)6-5-7-11(14)3/h9-11,13H,5-8H2,1-4H3
InChIKeyBNKPFGQOVZPCMG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.56
Rot. Bonds4

About methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate

methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate (PubChem CID 83021227) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate
PubChem CID83021227
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNN1C(C)CCCC1C
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16-4)8-13-14-10(2)6-5-7-11(14)3/h9-11,13H,5-8H2,1-4H3
InChIKeyBNKPFGQOVZPCMG-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate (CID 83021227) is methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate is COC(=O)C(C)CNN1C(C)CCCC1C.
What is the InChIKey of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate?
The InChIKey is BNKPFGQOVZPCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(12(15)16-4)8-13-14-10(2)6-5-7-11(14)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate?
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 83021227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).