ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate

C15H30N2O2 — CID 62930956

IUPACethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCC(C)(C)CC1)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-13(18)15(4,16-5)9-12-17-10-7-14(2,3)8-11-17/h16H,6-12H2,1-5H3
InChIKeyFIUGUSMCMUUVEQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds6

About ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate

ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 62930956) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID62930956
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCC(C)(C)CC1)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-13(18)15(4,16-5)9-12-17-10-7-14(2,3)8-11-17/h16H,6-12H2,1-5H3
InChIKeyFIUGUSMCMUUVEQ-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63217699
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63635245
ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
CID 62930268
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 63217386
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
CID 64837571
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (CID 62930956) is ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is CCOC(=O)C(C)(CCN1CCC(C)(C)CC1)NC.
What is the InChIKey of ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is FIUGUSMCMUUVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-19-13(18)15(4,16-5)9-12-17-10-7-14(2,3)8-11-17/h16H,6-12H2,1-5H3.
What are the key properties of ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 62930956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).