ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate

C14H28N2O2 — CID 115128909

IUPACethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)(C)NCCC1CCN(C)CC1
InChIInChI=1S/C14H28N2O2/c1-5-18-13(17)14(2,3)15-9-6-12-7-10-16(4)11-8-12/h12,15H,5-11H2,1-4H3
InChIKeyAOOZLSBCLVSWRR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate

ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate (PubChem CID 115128909) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
PubChem CID115128909
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)(C)NCCC1CCN(C)CC1
InChIInChI=1S/C14H28N2O2/c1-5-18-13(17)14(2,3)15-9-6-12-7-10-16(4)11-8-12/h12,15H,5-11H2,1-4H3
InChIKeyAOOZLSBCLVSWRR-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 114516767
ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
CID 63236833
3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
CID 115134988
2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 114999323
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
ethyl 2-(4,4-dimethylpentylamino)-2-methylpropanoate
CID 87560965
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
CID 114515518
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate (CID 115128909) is ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate is CCOC(=O)C(C)(C)NCCC1CCN(C)CC1.
What is the InChIKey of ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
The InChIKey is AOOZLSBCLVSWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-13(17)14(2,3)15-9-6-12-7-10-16(4)11-8-12/h12,15H,5-11H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate is sourced from PubChem (CID 115128909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).