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

C16H32N2O2 — CID 63159042

IUPACethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(CC)(CC)CC1)NC
InChIInChI=1S/C16H32N2O2/c1-5-16(6-2)9-12-18(13-10-16)11-8-14(17-4)15(19)20-7-3/h14,17H,5-13H2,1-4H3
InChIKeyGPAAMXHMZIMGLK-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds8

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

ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate (PubChem CID 63159042) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
PubChem CID63159042
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(CC)(CC)CC1)NC
InChIInChI=1S/C16H32N2O2/c1-5-16(6-2)9-12-18(13-10-16)11-8-14(17-4)15(19)20-7-3/h14,17H,5-13H2,1-4H3
InChIKeyGPAAMXHMZIMGLK-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
ethyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054024
methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63159456
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
CID 63053944
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
CID 63054333
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate (CID 63159042) is ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate is CCOC(=O)C(CCN1CCC(CC)(CC)CC1)NC.
What is the InChIKey of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate?
The InChIKey is GPAAMXHMZIMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-16(6-2)9-12-18(13-10-16)11-8-14(17-4)15(19)20-7-3/h14,17H,5-13H2,1-4H3.
What are the key properties of ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate?
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 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-(methylamino)butanoate is sourced from PubChem (CID 63159042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).