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

C13H26N2O2 — CID 114515449

IUPACethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCC1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)11(2)14-8-5-12-6-9-15(3)10-7-12/h11-12,14H,4-10H2,1-3H3
InChIKeyVLJBSDIONJHZTC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

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

ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate (PubChem CID 114515449) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
PubChem CID114515449
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCC1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)11(2)14-8-5-12-6-9-15(3)10-7-12/h11-12,14H,4-10H2,1-3H3
InChIKeyVLJBSDIONJHZTC-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
1-(azepan-1-yl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]propan-1-one
CID 114515642
2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
CID 114515518
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 58928695
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate (CID 114515449) is ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate is CCOC(=O)C(C)NCCC1CCN(C)CC1.
What is the InChIKey of ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
The InChIKey is VLJBSDIONJHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-13(16)11(2)14-8-5-12-6-9-15(3)10-7-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate?
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate is sourced from PubChem (CID 114515449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).