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

C11H21NO2 — CID 116963121

IUPACmethyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(C)(C)C1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,10(13)14-4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3
InChIKeyNMFVNQXEMAYLKK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

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

methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate (PubChem CID 116963121) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
PubChem CID116963121
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(C)(C)C1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,10(13)14-4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3
InChIKeyNMFVNQXEMAYLKK-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyanomethyl)piperidin-1-yl]propan-2-yl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 138500935
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
CID 116873622
methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate
CID 144518048
2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 114999323
methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate
CID 11492116
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63927659

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate (CID 116963121) is methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate is COC(=O)C(C)(C)C1CCN(C)CC1.
What is the InChIKey of methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate?
The InChIKey is NMFVNQXEMAYLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,10(13)14-4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate?
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate is sourced from PubChem (CID 116963121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).