ethyl 2-(2-ethylpiperidin-1-yl)butanoate

C13H25NO2 — CID 607694

IUPACethyl 2-(2-ethylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1CC
InChIInChI=1S/C13H25NO2/c1-4-11-9-7-8-10-14(11)12(5-2)13(15)16-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHJSBDOZDCPBPLK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds5

About ethyl 2-(2-ethylpiperidin-1-yl)butanoate

ethyl 2-(2-ethylpiperidin-1-yl)butanoate (PubChem CID 607694) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(2-ethylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethylpiperidin-1-yl)butanoate
PubChem CID607694
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(2-ethylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1CC
InChIInChI=1S/C13H25NO2/c1-4-11-9-7-8-10-14(11)12(5-2)13(15)16-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHJSBDOZDCPBPLK-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylpiperidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-ethylpiperidin-1-yl)butanoate (CID 607694) is ethyl 2-(2-ethylpiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-ethylpiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-ethylpiperidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCCC1CC.
What is the InChIKey of ethyl 2-(2-ethylpiperidin-1-yl)butanoate?
The InChIKey is HJSBDOZDCPBPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11-9-7-8-10-14(11)12(5-2)13(15)16-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(2-ethylpiperidin-1-yl)butanoate?
ethyl 2-(2-ethylpiperidin-1-yl)butanoate has a molecular weight of 227.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylpiperidin-1-yl)butanoate is sourced from PubChem (CID 607694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).