ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate

C13H26N2O2 — CID 55003983

IUPACethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C1CCN(CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-15-10-6-12(7-11-15)14(3)9-8-13(16)17-5-2/h12H,4-11H2,1-3H3
InChIKeyRWJHUMYKQXPSEU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

About ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate

ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate (PubChem CID 55003983) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate
PubChem CID55003983
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C1CCN(CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-15-10-6-12(7-11-15)14(3)9-8-13(16)17-5-2/h12H,4-11H2,1-3H3
InChIKeyRWJHUMYKQXPSEU-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate (CID 55003983) is ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate is CCOC(=O)CCN(C)C1CCN(CC)CC1.
What is the InChIKey of ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate?
The InChIKey is RWJHUMYKQXPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15-10-6-12(7-11-15)14(3)9-8-13(16)17-5-2/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate?
ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-ethylpiperidin-4-yl)-methylamino]propanoate is sourced from PubChem (CID 55003983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).