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

C17H34N2O2 — CID 63159361

IUPACethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCC(CC)(CC)CC1)NC
InChIInChI=1S/C17H34N2O2/c1-6-17(7-2)10-13-19(14-11-17)12-9-16(4,18-5)15(20)21-8-3/h18H,6-14H2,1-5H3
InChIKeyFDUQUVWISMSFJK-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds8

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

ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 63159361) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID63159361
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCC(CC)(CC)CC1)NC
InChIInChI=1S/C17H34N2O2/c1-6-17(7-2)10-13-19(14-11-17)12-9-16(4,18-5)15(20)21-8-3/h18H,6-14H2,1-5H3
InChIKeyFDUQUVWISMSFJK-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
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 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
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
ethyl (E)-4-(4,4-diethylpiperidin-1-yl)but-2-enoate
CID 80549192
ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 103538248
ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
CID 64837571
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63159226

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (CID 63159361) is ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is CCOC(=O)C(C)(CCN1CCC(CC)(CC)CC1)NC.
What is the InChIKey of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is FDUQUVWISMSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-17(7-2)10-13-19(14-11-17)12-9-16(4,18-5)15(20)21-8-3/h18H,6-14H2,1-5H3.
What are the key properties of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 63159361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).